data_[Nd4B4As4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7609]
_cell_length_b [12.0708]
_cell_length_c [5.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdBAsRh3]
_chemical_formula_sum '[Nd4 B4 As4 Rh12]'
_cell_volume [405.2782]
_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  0.0000  0.2578  0.2500  1
  B  B1  4  0.0000  0.0085  0.7500  1
  As  As2  4  0.0000  0.3766  0.7500  1
  Rh  Rh3  8  0.2479  0.5000  0.0000  1
  Rh  Rh4  4  0.0000  0.1805  0.7500  1
]