data_[Er10Th2Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1050]
_cell_length_b [4.3651]
_cell_length_c [7.6815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5ThBi4]
_chemical_formula_sum '[Er10 Th2 Bi8]'
_cell_volume [661.8330]
_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
[
  Er  Er0  4  0.1882  0.0000  0.0848  1
  Er  Er1  4  0.2010  0.0000  0.6121  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.0670  0.0000  0.7697  1
  Bi  Bi5  4  0.1332  0.5000  0.3251  1
]