data_[Nd10Er2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9449]
_cell_length_b [13.7332]
_cell_length_c [7.9365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5ErBi6]
_chemical_formula_sum '[Nd10 Er2 Bi12]'
_cell_volume [816.4190]
_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
[
  Nd  Nd0  4  0.0000  0.1691  0.5000  1.0
  Nd  Nd1  4  0.0000  0.3341  0.0000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2454  0.1638  0.2457  1.0
  Bi  Bi5  4  0.2444  0.0000  0.7519  1.0
]