data_[Er24Bi12H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.7537]
_cell_length_b [16.0258]
_cell_length_c [5.0221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er6Bi3H]
_chemical_formula_sum '[Er24 Bi12 H4]'
_cell_volume [1026.4628]
_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  8  0.1661  0.2479  0.1560  1
  Er  Er1  8  0.1674  0.4226  0.6564  1
  Er  Er2  4  0.0000  0.0755  0.1555  1
  Er  Er3  4  0.0000  0.2540  0.6585  1
  Bi  Bi4  8  0.1659  0.0947  0.6550  1
  Bi  Bi5  4  0.0000  0.4068  0.1590  1
  H  H6  4  0.0000  0.2074  0.0776  1
]