data_[Nd24Bi4As16]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3216]
_cell_length_b [14.0516]
_cell_length_c [21.6583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd6BiAs4]
_chemical_formula_sum '[Nd24 Bi4 As16]'
_cell_volume [1315.2110]
_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  0.0000  0.0399  0.1592  1
  Nd  Nd1  8  0.0000  0.2276  0.5815  1
  Nd  Nd2  4  0.0000  0.3318  0.2500  1
  Nd  Nd3  4  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.0000  0.3381  0.7500  1
  As  As5  8  0.0000  0.1372  0.0415  1
  As  As6  8  0.0000  0.4075  0.1251  1
]