data_[Tm12Cu2Bi4]
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/c]
_cell_length_a [6.3540]
_cell_length_b [7.8728]
_cell_length_c [11.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6CuBi2]
_chemical_formula_sum '[Tm12 Cu2 Bi4]'
_cell_volume [502.8321]
_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  4  0.0896  0.2016  0.4614  1.0
  Tm  Tm1  4  0.3319  0.6714  0.4618  1.0
  Tm  Tm2  4  0.3842  0.0270  0.2440  1.0
  Cu  Cu3  2  0.5000  0.0000  0.5000  1.0
  Bi  Bi4  4  0.1332  0.1139  0.7409  1.0
]