data_[Nb2Cr2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.1978]
_cell_length_b [3.1447]
_cell_length_c [4.6719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbCrB]
_chemical_formula_sum '[Nb2 Cr2 B2]'
_cell_volume [75.2835]
_cell_formula_units_Z [2]
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
[
  Nb  Nb0  2  0.3495  0.0000  0.3562  1
  Cr  Cr1  2  0.4392  0.5000  0.8249  1
  B  B2  2  0.1376  0.5000  0.0460  1
]