# generated using pymatgen data_Ca10Si3Pt7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77557928 _cell_length_b 8.77557309 _cell_length_c 13.84222100 _cell_angle_alpha 89.99993236 _cell_angle_beta 90.00002984 _cell_angle_gamma 120.00005260 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca10Si3Pt7 _chemical_formula_sum 'Ca20 Si6 Pt14' _cell_volume 923.18228513 _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 Ca Ca0 1 -0.00000011 0.74079438 0.89308724 1.0 Ca Ca1 1 0.25920571 0.25920548 0.89308706 1.0 Ca Ca2 1 0.74079402 0.00000022 0.89308685 1.0 Ca Ca3 1 0.99999987 0.25919685 0.10687456 1.0 Ca Ca4 1 0.74080236 0.74080309 0.10687481 1.0 Ca Ca5 1 0.25919780 0.00000054 0.10687503 1.0 Ca Ca6 1 0.00000000 0.25919722 0.39312622 1.0 Ca Ca7 1 0.74080258 0.74080237 0.39312599 1.0 Ca Ca8 1 0.25919733 0.00000030 0.39312625 1.0 Ca Ca9 1 0.00000003 0.74079464 0.60691312 1.0 Ca Ca10 1 0.25920559 0.25920560 0.60691295 1.0 Ca Ca11 1 0.74079443 -0.00000013 0.60691302 1.0 Ca Ca12 1 0.66666673 0.33333348 0.99998262 1.0 Ca Ca13 1 0.33333273 0.66666649 0.99998274 1.0 Ca Ca14 1 0.33333326 0.66666646 0.50001796 1.0 Ca Ca15 1 0.66666651 0.33333343 0.50001781 1.0 Ca Ca16 1 0.33333312 0.66666710 0.74999875 1.0 Ca Ca17 1 0.66666637 0.33333221 0.74999866 1.0 Ca Ca18 1 0.66666640 0.33333246 0.25000207 1.0 Ca Ca19 1 0.33333340 0.66666732 0.25000256 1.0 Si Si20 1 0.00000010 0.28517772 0.74999699 1.0 Si Si21 1 0.71482194 0.71482192 0.74999741 1.0 Si Si22 1 0.28517805 -0.00000001 0.74999734 1.0 Si Si23 1 -0.00000007 0.71481461 0.25000271 1.0 Si Si24 1 0.28518559 0.28518576 0.25000227 1.0 Si Si25 1 0.71481434 0.00000002 0.25000216 1.0 Pt Pt26 1 0.00000047 0.00000031 0.74999912 1.0 Pt Pt27 1 0.00000011 0.00000071 0.25000149 1.0 Pt Pt28 1 0.00000070 0.40765863 0.90239354 1.0 Pt Pt29 1 0.59234121 0.59234100 0.90239449 1.0 Pt Pt30 1 0.40765866 -0.00000027 0.90239459 1.0 Pt Pt31 1 -0.00000047 0.59238521 0.09758854 1.0 Pt Pt32 1 0.40761473 0.40761420 0.09758767 1.0 Pt Pt33 1 0.59238465 -0.00000039 0.09758757 1.0 Pt Pt34 1 -0.00000019 0.59238718 0.40241682 1.0 Pt Pt35 1 0.40761247 0.40761254 0.40241608 1.0 Pt Pt36 1 0.59238720 0.00000021 0.40241606 1.0 Pt Pt37 1 0.99999978 0.40765553 0.59759934 1.0 Pt Pt38 1 0.59234445 0.59234438 0.59759975 1.0 Pt Pt39 1 0.40765616 0.00000024 0.59759978 1.0