data_[Er12Fe4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3063]
_cell_length_b [4.0114]
_cell_length_c [10.3585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3FeBi]
_chemical_formula_sum '[Er12 Fe4 Bi4]'
_cell_volume [520.1388]
_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  0.0827  0.5000  0.9457  1.0
  Er  Er1  4  0.1274  0.0000  0.7073  1.0
  Er  Er2  4  0.1725  0.0000  0.2795  1.0
  Fe  Fe3  4  0.2378  0.0000  0.0427  1.0
  Bi  Bi4  4  0.0879  0.5000  0.4251  1.0
]