data_[Nd12Sb4As4]
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 [Pnma]
_cell_length_a [8.5299]
_cell_length_b [4.3597]
_cell_length_c [16.2186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3SbAs]
_chemical_formula_sum '[Nd12 Sb4 As4]'
_cell_volume [603.1372]
_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  4  0.0118  0.7500  0.3933  1
  Nd  Nd1  4  0.1462  0.7500  0.9557  1
  Nd  Nd2  4  0.1654  0.2500  0.2137  1
  Sb  Sb3  4  0.1203  0.2500  0.8037  1
  As  As4  4  0.2031  0.7500  0.5487  1
]