data_VCr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   2.5
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2B
_chemical_formula_sum   'V1 Cr2 B1'
_cell_volume   42.35
_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
  V  V3  1  0.51  0.0  0.25  1.0
  Cr  Cr1  1  0.51  0.0  0.29  1.0
  Cr  Cr2  1  0.0  0.0  0.33  1.0
  B  B0  1  0.0  0.0  0.71  1.0

data_VCr2B
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.5
_cell_length_b   7.05
_cell_length_c   2.5
_cell_angle_alpha   90.0
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   VCr2B
_chemical_formula_sum   'V1 Cr2 B1'
_cell_volume   42.35
_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
  V  V0  1  0.5  0.75  0.0  1.0
  Cr  Cr1  1  0.0  0.67  0.0  1.0
  Cr  Cr2  1  0.5  0.71  0.0  1.0
  B  B3  1  0.0  0.29  0.0  1.0

V Cr Cr B
V Cr Cr B 0 1 o o o 0 2 + o o 0 2 o o o 1 2 + o o 1 2 o o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 