data_[Nd12Bi8P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8122]
_cell_length_b [13.3551]
_cell_length_c [7.6445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Bi2P]
_chemical_formula_sum '[Nd12 Bi8 P4]'
_cell_volume [753.7947]
_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
[
  Nd  Nd0  8  0.2214  0.4247  0.4972  1.0
  Nd  Nd1  4  0.2500  0.2500  0.0000  1.0
  Bi  Bi2  4  0.0000  0.0822  0.7500  1.0
  Bi  Bi3  4  0.0000  0.2426  0.2500  1.0
  P  P4  4  0.0000  0.4152  0.7500  1.0
]