data_V2CrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.09
_cell_angle_alpha   113.74
_cell_angle_beta   113.74
_cell_angle_gamma   34.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrIr
_chemical_formula_sum   'V2 Cr1 Ir1'
_cell_volume   53.57
_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  V2  1  0.35  0.0  0.62  1.0
  V  V3  1  0.01  0.0  0.93  1.0
  Cr  Cr0  1  0.83  0.0  0.99  1.0
  Ir  Ir1  1  0.04  0.0  0.74  1.0

data_V2CrIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.09
_cell_length_c   5.07
_cell_angle_alpha   113.74
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrIr
_chemical_formula_sum   'V2 Cr1 Ir1'
_cell_volume   53.57
_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  V0  1  0.0  0.62  0.35  1.0
  V  V1  1  0.0  0.93  0.01  1.0
  Cr  Cr2  1  0.0  0.99  0.83  1.0
  Ir  Ir3  1  0.0  0.74  0.04  1.0

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