data_[Er10Bi8S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.6782]
_cell_length_b [9.6782]
_cell_length_c [6.1927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Er5Bi4S]
_chemical_formula_sum '[Er10 Bi8 S2]'
_cell_volume [580.0525]
_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  8  0.0991  0.2793  0.9979  1
  Er  Er1  2  0.0000  0.0000  0.5176  1
  Bi  Bi2  8  0.0917  0.3040  0.4979  1
  S  S3  2  0.0000  0.0000  0.9890  1
]