# generated using pymatgen data_Li2Ca2Ni15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22099040 _cell_length_b 6.22098991 _cell_length_c 6.22098978 _cell_angle_alpha 83.88793099 _cell_angle_beta 83.88793699 _cell_angle_gamma 83.88794382 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ca2Ni15 _chemical_formula_sum 'Li2 Ca2 Ni15' _cell_volume 236.92281123 _cell_formula_units_Z 1 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 0.90288528 0.90288528 0.90288528 1.0 Li Li1 1 0.09711472 0.09711472 0.09711472 1.0 Ca Ca2 1 0.65570322 0.65570322 0.65570322 1.0 Ca Ca3 1 0.34429678 0.34429678 0.34429678 1.0 Ni Ni4 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni6 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni7 1 0.70200478 0.29799522 0.00000000 1.0 Ni Ni8 1 0.00000000 0.70200478 0.29799522 1.0 Ni Ni9 1 0.29799522 1.00000000 0.70200478 1.0 Ni Ni10 1 1.00000000 0.29799522 0.70200478 1.0 Ni Ni11 1 0.70200478 0.00000000 0.29799522 1.0 Ni Ni12 1 0.29799522 0.70200478 1.00000000 1.0 Ni Ni13 1 0.34288639 0.34288639 0.84466183 1.0 Ni Ni14 1 0.84466183 0.34288639 0.34288639 1.0 Ni Ni15 1 0.34288639 0.84466183 0.34288639 1.0 Ni Ni16 1 0.65711361 0.65711361 0.15533817 1.0 Ni Ni17 1 0.15533817 0.65711361 0.65711361 1.0 Ni Ni18 1 0.65711361 0.15533817 0.65711361 1.0