data_[Y6Er4Th2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.7827]
_cell_length_b [13.4707]
_cell_length_c [7.7867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Er2ThBi6]
_chemical_formula_sum '[Y6 Er4 Th2 Bi12]'
_cell_volume [769.4232]
_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
[
  Y  Y0  4  0.0000  0.1639  0.5000  1
  Y  Y1  2  0.0000  0.5000  0.5000  1
  Er  Er2  4  0.0000  0.3325  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  8  0.2463  0.3305  0.7481  1
  Bi  Bi5  4  0.2432  0.5000  0.2485  1
]