# generated using pymatgen data_Lu2Co9CuP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62864572 _cell_length_b 10.13444455 _cell_length_c 11.64355989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Co9CuP6 _chemical_formula_sum 'Lu4 Co18 Cu2 P12' _cell_volume 428.18386811 _cell_formula_units_Z 2 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 Lu Lu0 1 0.25000000 0.57699584 0.70130493 1.0 Lu Lu1 1 0.25000000 0.92300416 0.20130493 1.0 Lu Lu2 1 0.75000000 0.41843143 0.29717177 1.0 Lu Lu3 1 0.75000000 0.08156857 0.79717177 1.0 Co Co4 1 0.75000000 0.28748495 0.00718677 1.0 Co Co5 1 0.75000000 0.21251505 0.50718677 1.0 Co Co6 1 0.25000000 0.40546026 0.48567919 1.0 Co Co7 1 0.25000000 0.09453974 0.98567919 1.0 Co Co8 1 0.75000000 0.59273782 0.51601629 1.0 Co Co9 1 0.75000000 0.90726218 0.01601629 1.0 Co Co10 1 0.25000000 0.22407643 0.17459456 1.0 Co Co11 1 0.25000000 0.27592357 0.67459456 1.0 Co Co12 1 0.75000000 0.77628642 0.82717062 1.0 Co Co13 1 0.75000000 0.72371358 0.32717062 1.0 Co Co14 1 0.25000000 0.88058605 0.69966466 1.0 Co Co15 1 0.25000000 0.61941395 0.19966466 1.0 Co Co16 1 0.75000000 0.12042631 0.29969774 1.0 Co Co17 1 0.75000000 0.37957369 0.79969774 1.0 Co Co18 1 0.25000000 0.46522348 0.93155582 1.0 Co Co19 1 0.25000000 0.03477652 0.43155582 1.0 Co Co20 1 0.75000000 0.53549495 0.06713402 1.0 Co Co21 1 0.75000000 0.96450505 0.56713402 1.0 Cu Cu22 1 0.25000000 0.71266355 0.99193743 1.0 Cu Cu23 1 0.25000000 0.78733645 0.49193743 1.0 P P24 1 0.25000000 0.42249016 0.11384916 1.0 P P25 1 0.25000000 0.07750984 0.61384916 1.0 P P26 1 0.75000000 0.57457631 0.88264976 1.0 P P27 1 0.75000000 0.92542369 0.38264976 1.0 P P28 1 0.25000000 0.26752409 0.86596930 1.0 P P29 1 0.25000000 0.23247591 0.36596930 1.0 P P30 1 0.75000000 0.73290554 0.13933997 1.0 P P31 1 0.75000000 0.76709446 0.63933997 1.0 P P32 1 0.25000000 0.59688110 0.39109642 1.0 P P33 1 0.25000000 0.90311890 0.89109642 1.0 P P34 1 0.75000000 0.39696892 0.60798259 1.0 P P35 1 0.75000000 0.10303108 0.10798259 1.0