data_NbCrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   143.96
_cell_angle_beta   143.96
_cell_angle_gamma   51.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrB
_chemical_formula_sum   'Nb1 Cr1 B1'
_cell_volume   35.91
_cell_formula_units_Z   1
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  Nb2  1  0.0  0.0  0.91  1.0
  Cr  Cr1  1  0.0  0.0  0.28  1.0
  B  B0  1  0.0  0.0  0.27  1.0

data_NbCrB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   115.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCrB
_chemical_formula_sum   'Nb2 Cr2 B2'
_cell_volume   71.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.09  1.0
  Cr  Cr1  2  0.0  0.0  0.72  1.0
  B  B2  2  0.0  0.0  0.73  1.0

Nb Cr B
Nb Cr B 0 2 o o + 0 1 o o + 1 2 o o o 