# generated using pymatgen data_Sr3Mg(Cu4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00023192 _cell_length_b 11.21367979 _cell_length_c 13.04682143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Mg(Cu4P3)2 _chemical_formula_sum 'Sr6 Mg2 Cu16 P12' _cell_volume 585.24544234 _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 Sr Sr0 1 0.00000000 0.50000000 0.51861142 1.0 Sr Sr1 1 0.50000000 0.00000000 0.48138858 1.0 Sr Sr2 1 0.50000000 0.81451590 0.20394808 1.0 Sr Sr3 1 0.50000000 0.18548410 0.20394808 1.0 Sr Sr4 1 0.00000000 0.68548410 0.79605192 1.0 Sr Sr5 1 0.00000000 0.31451590 0.79605192 1.0 Mg Mg6 1 0.50000000 0.50000000 0.14776218 1.0 Mg Mg7 1 0.00000000 0.00000000 0.85223782 1.0 Cu Cu8 1 0.50000000 0.50000000 0.70001477 1.0 Cu Cu9 1 0.00000000 0.00000000 0.29998523 1.0 Cu Cu10 1 0.00000000 0.50000000 0.98379633 1.0 Cu Cu11 1 0.50000000 0.00000000 0.01620367 1.0 Cu Cu12 1 0.50000000 0.33554451 0.99124870 1.0 Cu Cu13 1 0.50000000 0.66445549 0.99124870 1.0 Cu Cu14 1 0.00000000 0.16445549 0.00875130 1.0 Cu Cu15 1 0.00000000 0.83554451 0.00875130 1.0 Cu Cu16 1 0.50000000 0.29453142 0.43108210 1.0 Cu Cu17 1 0.50000000 0.70546858 0.43108210 1.0 Cu Cu18 1 0.00000000 0.20546858 0.56891790 1.0 Cu Cu19 1 0.00000000 0.79453142 0.56891790 1.0 Cu Cu20 1 0.50000000 0.88282378 0.70810652 1.0 Cu Cu21 1 0.50000000 0.11717622 0.70810652 1.0 Cu Cu22 1 0.00000000 0.61717622 0.29189348 1.0 Cu Cu23 1 0.00000000 0.38282378 0.29189348 1.0 P P24 1 0.50000000 0.50000000 0.87943861 1.0 P P25 1 0.00000000 0.00000000 0.12056139 1.0 P P26 1 0.50000000 0.50000000 0.34438290 1.0 P P27 1 0.00000000 0.00000000 0.65561710 1.0 P P28 1 0.50000000 0.31169624 0.61477629 1.0 P P29 1 0.50000000 0.68830376 0.61477629 1.0 P P30 1 0.00000000 0.18830376 0.38522371 1.0 P P31 1 0.00000000 0.81169624 0.38522371 1.0 P P32 1 0.50000000 0.84393796 0.89796476 1.0 P P33 1 0.50000000 0.15606204 0.89796476 1.0 P P34 1 0.00000000 0.65606204 0.10203524 1.0 P P35 1 0.00000000 0.34393796 0.10203524 1.0