# generated using pymatgen data_Sm2BeCoI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93913553 _cell_length_b 3.93913638 _cell_length_c 17.30972156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000114 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2BeCoI _chemical_formula_sum 'Sm4 Be2 Co2 I2' _cell_volume 232.60692967 _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 Sm Sm0 1 0.00000000 0.00000000 0.60440301 1.0 Sm Sm1 1 0.00000000 0.00000000 0.39615198 1.0 Sm Sm2 1 0.00000000 0.00000000 0.10440301 1.0 Sm Sm3 1 0.00000000 0.00000000 0.89615198 1.0 Be Be4 1 0.66666700 0.33333300 0.50081457 1.0 Be Be5 1 0.33333300 0.66666700 0.00081457 1.0 Co Co6 1 0.66666700 0.33333300 0.99883185 1.0 Co Co7 1 0.33333300 0.66666700 0.49883185 1.0 I I8 1 0.66666700 0.33333300 0.24979959 1.0 I I9 1 0.33333300 0.66666700 0.74979959 1.0