# generated using pymatgen data_Tm4Pa(MnB3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37473504 _cell_length_b 5.37473469 _cell_length_c 7.90215278 _cell_angle_alpha 70.11822147 _cell_angle_beta 70.11822309 _cell_angle_gamma 60.00001225 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Pa(MnB3)2 _chemical_formula_sum 'Tm4 Pa1 Mn2 B6' _cell_volume 181.81194480 _cell_formula_units_Z 1 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 Tm Tm0 1 0.25227755 0.25227755 0.24316635 1.0 Tm Tm1 1 0.74772245 0.74772245 0.75683365 1.0 Tm Tm2 1 0.41445024 0.41445024 0.75664928 1.0 Tm Tm3 1 0.58554976 0.58554976 0.24335072 1.0 Pa Pa4 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn5 1 0.10744110 0.10744110 0.67767670 1.0 Mn Mn6 1 0.89255890 0.89255890 0.32232330 1.0 B B7 1 0.16691654 0.83308346 0.50000000 1.0 B B8 1 0.83308346 0.50000000 0.50000000 1.0 B B9 1 0.50000000 0.16691654 0.50000000 1.0 B B10 1 0.16691654 0.50000000 0.50000000 1.0 B B11 1 0.50000000 0.83308346 0.50000000 1.0 B B12 1 0.83308346 0.16691654 0.50000000 1.0