# generated using pymatgen data_Li7ReN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.84369762 _cell_length_b 9.84369762 _cell_length_c 9.84369762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7ReN4 _chemical_formula_sum 'Li56 Re8 N32' _cell_volume 953.83838048 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.50000000 1.0 Li Li1 1 0.00000000 0.50000000 -0.00000000 1.0 Li Li2 1 0.50000000 0.00000000 -0.00000000 1.0 Li Li3 1 0.50000000 -0.00000000 0.50000000 1.0 Li Li4 1 0.50000000 0.50000000 -0.00000000 1.0 Li Li5 1 -0.00000000 0.50000000 0.50000000 1.0 Li Li6 1 0.00000000 0.50000000 0.25000000 1.0 Li Li7 1 0.50000000 0.75000000 -0.00000000 1.0 Li Li8 1 0.25000000 -0.00000000 0.50000000 1.0 Li Li9 1 0.50000000 0.25000000 -0.00000000 1.0 Li Li10 1 0.75000000 -0.00000000 0.50000000 1.0 Li Li11 1 -0.00000000 0.50000000 0.75000000 1.0 Li Li12 1 0.26840394 0.73159606 0.26840394 1.0 Li Li13 1 0.73159606 0.26840394 0.26840394 1.0 Li Li14 1 0.26840394 0.26840394 0.73159606 1.0 Li Li15 1 0.73159606 0.73159606 0.73159606 1.0 Li Li16 1 0.76840394 0.76840394 0.23159606 1.0 Li Li17 1 0.23159606 0.76840394 0.76840394 1.0 Li Li18 1 0.76840394 0.23159606 0.76840394 1.0 Li Li19 1 0.23159606 0.23159606 0.23159606 1.0 Li Li20 1 0.50000000 0.50000000 0.23394997 1.0 Li Li21 1 0.50000000 0.76605003 0.50000000 1.0 Li Li22 1 0.23394997 0.50000000 0.50000000 1.0 Li Li23 1 0.50000000 0.23394997 0.50000000 1.0 Li Li24 1 0.76605003 0.50000000 0.50000000 1.0 Li Li25 1 0.50000000 0.50000000 0.76605003 1.0 Li Li26 1 -0.00000000 0.73394997 -0.00000000 1.0 Li Li27 1 -0.00000000 -0.00000000 0.26605003 1.0 Li Li28 1 0.73394997 0.00000000 -0.00000000 1.0 Li Li29 1 0.00000000 0.00000000 0.73394997 1.0 Li Li30 1 0.26605003 0.00000000 -0.00000000 1.0 Li Li31 1 -0.00000000 0.26605003 -0.00000000 1.0 Li Li32 1 0.52029706 0.73484811 0.24750190 1.0 Li Li33 1 0.26515189 0.75249810 0.52029706 1.0 Li Li34 1 0.24750190 0.47970294 0.26515189 1.0 Li Li35 1 0.47970294 0.26515189 0.24750190 1.0 Li Li36 1 0.73484811 0.24750190 0.52029706 1.0 Li Li37 1 0.75249810 0.52029706 0.26515189 1.0 Li Li38 1 0.52029706 0.26515189 0.75249810 1.0 Li Li39 1 0.26515189 0.24750190 0.47970294 1.0 Li Li40 1 0.24750190 0.52029706 0.73484811 1.0 Li Li41 1 0.47970294 0.73484811 0.75249810 1.0 Li Li42 1 0.73484811 0.75249810 0.47970294 1.0 Li Li43 1 0.75249810 0.47970294 0.73484811 1.0 Li Li44 1 0.02029706 0.74750190 0.23484811 1.0 Li Li45 1 0.76515189 0.02029706 0.25249810 1.0 Li Li46 1 0.74750190 0.76515189 0.97970294 1.0 Li Li47 1 0.97970294 0.74750190 0.76515189 1.0 Li Li48 1 0.23484811 0.02029706 0.74750190 1.0 Li Li49 1 0.25249810 0.76515189 0.02029706 1.0 Li Li50 1 0.02029706 0.25249810 0.76515189 1.0 Li Li51 1 0.76515189 0.97970294 0.74750190 1.0 Li Li52 1 0.74750190 0.23484811 0.02029706 1.0 Li Li53 1 0.97970294 0.25249810 0.23484811 1.0 Li Li54 1 0.23484811 0.97970294 0.25249810 1.0 Li Li55 1 0.25249810 0.23484811 0.97970294 1.0 Re Re56 1 0.50000000 0.50000000 0.50000000 1.0 Re Re57 1 0.00000000 0.00000000 -0.00000000 1.0 Re Re58 1 0.50000000 0.00000000 0.25000000 1.0 Re Re59 1 0.00000000 0.75000000 0.50000000 1.0 Re Re60 1 0.25000000 0.50000000 -0.00000000 1.0 Re Re61 1 0.00000000 0.25000000 0.50000000 1.0 Re Re62 1 0.75000000 0.50000000 -0.00000000 1.0 Re Re63 1 0.50000000 -0.00000000 0.75000000 1.0 N N64 1 0.38604065 0.61395935 0.38604065 1.0 N N65 1 0.61395935 0.38604065 0.38604065 1.0 N N66 1 0.38604065 0.38604065 0.61395935 1.0 N N67 1 0.61395935 0.61395935 0.61395935 1.0 N N68 1 0.88604065 0.88604065 0.11395935 1.0 N N69 1 0.11395935 0.88604065 0.88604065 1.0 N N70 1 0.88604065 0.11395935 0.88604065 1.0 N N71 1 0.11395935 0.11395935 0.11395935 1.0 N N72 1 0.38811859 0.87886054 0.13894094 1.0 N N73 1 0.12113946 0.86105906 0.38811859 1.0 N N74 1 0.13894094 0.61188141 0.12113946 1.0 N N75 1 0.61188141 0.12113946 0.13894094 1.0 N N76 1 0.87886054 0.13894094 0.38811859 1.0 N N77 1 0.86105906 0.38811859 0.12113946 1.0 N N78 1 0.38811859 0.12113946 0.86105906 1.0 N N79 1 0.12113946 0.13894094 0.61188141 1.0 N N80 1 0.13894094 0.38811859 0.87886054 1.0 N N81 1 0.61188141 0.87886054 0.86105906 1.0 N N82 1 0.87886054 0.86105906 0.61188141 1.0 N N83 1 0.86105906 0.61188141 0.87886054 1.0 N N84 1 0.88811859 0.63894094 0.37886054 1.0 N N85 1 0.62113946 0.88811859 0.36105906 1.0 N N86 1 0.63894094 0.62113946 0.11188141 1.0 N N87 1 0.11188141 0.63894094 0.62113946 1.0 N N88 1 0.37886054 0.88811859 0.63894094 1.0 N N89 1 0.36105906 0.62113946 0.88811859 1.0 N N90 1 0.88811859 0.36105906 0.62113946 1.0 N N91 1 0.62113946 0.11188141 0.63894094 1.0 N N92 1 0.63894094 0.37886054 0.88811859 1.0 N N93 1 0.11188141 0.36105906 0.37886054 1.0 N N94 1 0.37886054 0.11188141 0.36105906 1.0 N N95 1 0.36105906 0.37886054 0.11188141 1.0