# generated using pymatgen data_CaPr2(SmSn2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06118891 _cell_length_b 8.46999837 _cell_length_c 16.01341428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPr2(SmSn2)2 _chemical_formula_sum 'Ca4 Pr8 Sm8 Sn16' _cell_volume 1093.36801441 _cell_formula_units_Z 4 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 0.16798238 0.49454722 0.75000000 1.0 Ca Ca1 1 0.66798238 0.00545278 0.75000000 1.0 Ca Ca2 1 0.83201762 0.50545278 0.25000000 1.0 Ca Ca3 1 0.33201762 0.99454722 0.25000000 1.0 Pr Pr4 1 0.49259453 0.31829033 0.90492530 1.0 Pr Pr5 1 0.99259453 0.18170967 0.59507470 1.0 Pr Pr6 1 0.50740547 0.68170967 0.40492530 1.0 Pr Pr7 1 0.00740547 0.81829033 0.09507470 1.0 Pr Pr8 1 0.50740547 0.68170967 0.09507470 1.0 Pr Pr9 1 0.00740547 0.81829033 0.40492530 1.0 Pr Pr10 1 0.49259453 0.31829033 0.59507470 1.0 Pr Pr11 1 0.99259453 0.18170967 0.90492530 1.0 Sm Sm12 1 0.33568773 0.82769958 0.87629417 1.0 Sm Sm13 1 0.83568773 0.67230042 0.62370583 1.0 Sm Sm14 1 0.66431227 0.17230042 0.37629417 1.0 Sm Sm15 1 0.16431227 0.32769958 0.12370583 1.0 Sm Sm16 1 0.66431227 0.17230042 0.12370583 1.0 Sm Sm17 1 0.16431227 0.32769958 0.37629417 1.0 Sm Sm18 1 0.33568773 0.82769958 0.62370583 1.0 Sm Sm19 1 0.83568773 0.67230042 0.87629417 1.0 Sn Sn20 1 0.32374000 0.03769472 0.03781435 1.0 Sn Sn21 1 0.82374000 0.46230528 0.46218565 1.0 Sn Sn22 1 0.67626000 0.96230528 0.53781435 1.0 Sn Sn23 1 0.17626000 0.53769472 0.96218565 1.0 Sn Sn24 1 0.67626000 0.96230528 0.96218565 1.0 Sn Sn25 1 0.17626000 0.53769472 0.53781435 1.0 Sn Sn26 1 0.32374000 0.03769472 0.46218565 1.0 Sn Sn27 1 0.82374000 0.46230528 0.03781435 1.0 Sn Sn28 1 0.53594429 0.61103742 0.75000000 1.0 Sn Sn29 1 0.03594429 0.88896258 0.75000000 1.0 Sn Sn30 1 0.46405571 0.38896258 0.25000000 1.0 Sn Sn31 1 0.96405571 0.11103742 0.25000000 1.0 Sn Sn32 1 0.29284009 0.13513325 0.75000000 1.0 Sn Sn33 1 0.79284009 0.36486675 0.75000000 1.0 Sn Sn34 1 0.70715991 0.86486675 0.25000000 1.0 Sn Sn35 1 0.20715991 0.63513325 0.25000000 1.0