data_[Tm10Zr2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6166]
_cell_length_b [13.1877]
_cell_length_c [7.6122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm5ZrBi6]
_chemical_formula_sum '[Tm10 Zr2 Bi12]'
_cell_volume [720.6695]
_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  0.0000  0.1697  0.5000  1
  Tm  Tm1  4  0.0000  0.3347  0.0000  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Zr  Zr3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  8  0.2452  0.1639  0.2453  1
  Bi  Bi5  4  0.2436  0.0000  0.7509  1
]