data_ZrVCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   146.73
_cell_angle_beta   146.73
_cell_angle_gamma   47.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVCr
_chemical_formula_sum   'Zr1 V1 Cr1'
_cell_volume   47.25
_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
  Zr  Zr2  1  0.0  0.0  0.33  1.0
  V  V1  1  0.0  0.0  0.34  1.0
  Cr  Cr0  1  0.0  0.0  0.21  1.0

data_ZrVCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   113.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrVCr
_chemical_formula_sum   'Zr2 V2 Cr2'
_cell_volume   94.51
_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
  Zr  Zr0  2  0.33  0.0  0.33  1.0
  V  V1  2  0.34  0.0  0.34  1.0
  Cr  Cr2  2  0.21  0.0  0.21  1.0

Zr V Cr