data_[Er20Tl8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [20.8307]
_cell_length_b [6.3466]
_cell_length_c [8.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er5(TlBi)2]
_chemical_formula_sum '[Er20 Tl8 Bi8]'
_cell_volume [1047.1303]
_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
[
  Er  Er0  4  0.0105  0.1246  0.7932  1
  Er  Er1  4  0.0968  0.3666  0.2034  1
  Er  Er2  4  0.1415  0.1136  0.6062  1
  Er  Er3  4  0.2964  0.3548  0.7656  1
  Er  Er4  4  0.4088  0.1800  0.5394  1
  Tl  Tl5  4  0.1875  0.3515  0.9720  1
  Tl  Tl6  4  0.3591  0.2596  0.1450  1
  Bi  Bi7  4  0.2517  0.1314  0.3845  1
  Bi  Bi8  4  0.4967  0.1571  0.9272  1
]