data_BaNb2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Cr
_chemical_formula_sum   'Ba1 Nb2 Cr1'
_cell_volume   82.15
_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
  Ba  Ba0  1  0.74  0.0  0.0  1.0
  Nb  Nb2  1  0.37  0.62  0.43  1.0
  Nb  Nb3  1  0.37  0.38  0.43  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0

data_BaNb2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.49
_cell_length_c   5.91
_cell_angle_alpha   117.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Cr
_chemical_formula_sum   'Ba1 Nb2 Cr1'
_cell_volume   82.15
_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
  Ba  Ba0  1  0.0  0.0  0.74  1.0
  Nb  Nb1  1  0.43  0.38  0.76  1.0
  Nb  Nb2  1  0.43  0.62  0.99  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Ba Nb Nb Cr