data_[Nd48Sb32As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.8970]
_cell_length_b [12.5690]
_cell_length_c [26.5992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Nd3Sb2As]
_chemical_formula_sum '[Nd48 Sb32 As16]'
_cell_volume [2974.5125]
_cell_formula_units_Z [16]
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  32  0.0059  0.2445  0.0858  1
  Nd  Nd1  16  0.0134  0.2500  0.2500  1
  Sb  Sb2  16  0.0000  0.0000  0.2512  1
  Sb  Sb3  16  0.0000  0.0000  0.4183  1
  As  As4  16  0.0000  0.0000  0.0834  1
]