data_VCr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Cu
_chemical_formula_sum   'V1 Cr2 Cu1'
_cell_volume   48.84
_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  0.0  0.0  0.3  1.0
  Cr  Cr0  1  0.47  0.47  0.04  1.0
  Cr  Cr1  1  0.0  0.0  0.33  1.0
  Cu  Cu2  1  0.47  0.47  0.82  1.0

data_VCr2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCr2Cu
_chemical_formula_sum   'V2 Cr4 Cu2'
_cell_volume   97.68
_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
  V  V0  2  0.0  0.0  0.3  1.0
  Cr  Cr1  2  0.0  0.0  0.33  1.0
  Cr  Cr2  2  0.47  0.0  0.04  1.0
  Cu  Cu3  2  0.47  0.0  0.82  1.0

V Cr Cr Cu
V Cr Cr Cu 0 2 o o o 1 3 o o - 