data_BaV2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Cr
_chemical_formula_sum   'Ba1 V2 Cr1'
_cell_volume   77.88
_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  0.06  1.0
  V  V2  1  0.15  0.0  0.23  1.0
  V  V3  1  0.15  0.0  0.89  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0

data_BaV2Cr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaV2Cr
_chemical_formula_sum   'Ba1 V2 Cr1'
_cell_volume   77.94
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.06  1.0
  V  V1  1  0.15  0.0  0.23  1.0
  V  V2  1  0.15  0.0  0.89  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Ba V V Cr