data_[Ca10Nd2Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [15.1757]
_cell_length_b [6.4382]
_cell_length_c [9.0113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5NdBi5]
_chemical_formula_sum '[Ca10 Nd2 Bi10]'
_cell_volume [839.6086]
_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
[
  Ca  Ca0  4  0.1792  0.5000  0.3223  1
  Ca  Ca1  4  0.1808  0.5000  0.8583  1
  Ca  Ca2  2  0.0000  0.0000  0.5000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.1538  0.0000  0.8205  1
  Bi  Bi5  4  0.1633  0.0000  0.3359  1
  Bi  Bi6  2  0.0000  0.5000  0.0000  1
]