data_[Er24Tl10Bi4]
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 [C2/m]
_cell_length_a [16.9803]
_cell_length_b [7.2452]
_cell_length_c [10.0260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er12Tl5Bi2]
_chemical_formula_sum '[Er24 Tl10 Bi4]'
_cell_volume [1207.7963]
_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  0.1471  0.2621  0.5524  1
  Er  Er1  8  0.1809  0.2564  0.1064  1
  Er  Er2  4  0.0102  0.5000  0.2906  1
  Er  Er3  4  0.1011  0.0000  0.8112  1
  Tl  Tl4  4  0.1712  0.5000  0.8257  1
  Tl  Tl5  4  0.2105  0.5000  0.3505  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
  Bi  Bi7  4  0.0000  0.2440  0.0000  1
]