data_[Tb4Zr12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [18.1322]
_cell_length_b [4.0779]
_cell_length_c [9.2817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbZr3Bi2]
_chemical_formula_sum '[Tb4 Zr12 Bi8]'
_cell_volume [627.1639]
_cell_formula_units_Z [4]
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
[
  Tb  Tb0  4  0.1144  0.0000  0.1273  1
  Zr  Zr1  4  0.0595  0.0000  0.6592  1
  Zr  Zr2  4  0.1279  0.5000  0.4772  1
  Zr  Zr3  4  0.1888  0.5000  0.8978  1
  Bi  Bi4  4  0.0139  0.5000  0.8387  1
  Bi  Bi5  4  0.2451  0.0000  0.7088  1
]