data_[Ba10Nd2Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4147]
_cell_length_b [7.0000]
_cell_length_c [9.6910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5NdBi5]
_chemical_formula_sum '[Ba10 Nd2 Bi10]'
_cell_volume [1059.0353]
_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
[
  Ba  Ba0  4  0.1730  0.5000  0.8458  1
  Ba  Ba1  4  0.1846  0.5000  0.3215  1
  Ba  Ba2  2  0.0000  0.0000  0.5000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.1483  0.0000  0.8410  1
  Bi  Bi5  4  0.1559  0.0000  0.3194  1
  Bi  Bi6  2  0.0000  0.5000  0.0000  1
]