data_[Nd12Bi4As4]
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 [Pnma]
_cell_length_a [8.7316]
_cell_length_b [4.3996]
_cell_length_c [16.1452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3BiAs]
_chemical_formula_sum '[Nd12 Bi4 As4]'
_cell_volume [620.2353]
_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  0.0184  0.7500  0.3934  1
  Nd  Nd1  4  0.1517  0.7500  0.9655  1
  Nd  Nd2  4  0.1747  0.2500  0.2141  1
  Bi  Bi3  4  0.1080  0.2500  0.8099  1
  As  As4  4  0.1911  0.7500  0.5518  1
]