data_[Tm4Cu2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1310]
_cell_length_b [4.1837]
_cell_length_c [8.2367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm2CuBi]
_chemical_formula_sum '[Tm4 Cu2 Bi2]'
_cell_volume [199.2452]
_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
[
  Tm  Tm0  2  0.2547  0.7500  0.4451  1.0
  Tm  Tm1  2  0.3267  0.2500  0.0915  1.0
  Cu  Cu2  2  0.3772  0.2500  0.7101  1.0
  Bi  Bi3  2  0.1104  0.7500  0.7888  1.0
]