data_[Nd4Cr4B56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8656]
_cell_length_b [10.8300]
_cell_length_c [8.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NdCrB14]
_chemical_formula_sum '[Nd4 Cr4 B56]'
_cell_volume [526.5816]
_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  0.2500  0.6277  1
  Cr  Cr1  4  0.2500  0.2500  0.2500  1
  B  B2  16  0.1602  0.0610  0.8398  1
  B  B3  16  0.2484  0.0772  0.0487  1
  B  B4  8  0.0000  0.0829  0.1691  1
  B  B5  8  0.0000  0.1265  0.3662  1
  B  B6  8  0.0000  0.1663  0.9696  1
]