data_[Tm16Co2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0384]
_cell_length_b [4.4723]
_cell_length_c [7.3048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8CoBi2]
_chemical_formula_sum '[Tm16 Co2 Bi4]'
_cell_volume [618.3897]
_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  0.0012  0.0000  0.2203  1.0
  Tm  Tm1  4  0.0932  0.5000  0.5180  1.0
  Tm  Tm2  4  0.1301  0.5000  0.0467  1.0
  Tm  Tm3  4  0.2123  0.0000  0.3477  1.0
  Co  Co4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1828  0.0000  0.7829  1.0
]