# generated using pymatgen data_CaPr4Sn3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52518542 _cell_length_b 9.52518546 _cell_length_c 9.52518679 _cell_angle_alpha 127.94364917 _cell_angle_beta 127.94365423 _cell_angle_gamma 76.71633018 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPr4Sn3O _chemical_formula_sum 'Ca2 Pr8 Sn6 O2' _cell_volume 521.95952166 _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 0.50000000 0.50000000 0.00000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Pr Pr2 1 0.50360507 0.00360507 0.80916095 1.0 Pr Pr3 1 0.19444413 0.69444413 0.19083905 1.0 Pr Pr4 1 0.00360507 0.19444413 0.50000000 1.0 Pr Pr5 1 0.69444413 0.50360507 0.50000000 1.0 Pr Pr6 1 0.49639493 0.99639493 0.19083905 1.0 Pr Pr7 1 0.80555587 0.30555587 0.80916095 1.0 Pr Pr8 1 0.99639493 0.80555587 0.50000000 1.0 Pr Pr9 1 0.30555587 0.49639493 0.50000000 1.0 Sn Sn10 1 0.25000000 0.25000000 0.00000000 1.0 Sn Sn11 1 0.75000000 0.75000000 0.00000000 1.0 Sn Sn12 1 0.86730889 0.36730889 0.23461978 1.0 Sn Sn13 1 0.13269111 0.63269111 0.76538022 1.0 Sn Sn14 1 0.36730889 0.13269111 0.50000000 1.0 Sn Sn15 1 0.63269111 0.86730889 0.50000000 1.0 O O16 1 0.25000000 0.75000000 0.50000000 1.0 O O17 1 0.75000000 0.25000000 0.50000000 1.0