data_VIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   153.14
_cell_angle_beta   136.37
_cell_angle_gamma   51.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr2Cl
_chemical_formula_sum   'V1 Ir2 Cl1'
_cell_volume   62.58
_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  0.27  1.0
  Ir  Ir1  1  0.36  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.18  0.27  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_VIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.36
_cell_length_c   5.86
_cell_angle_alpha   111.81
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr2Cl
_chemical_formula_sum   'V1 Ir2 Cl1'
_cell_volume   62.58
_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  0.73  0.73  0.73  1.0
  Ir  Ir1  1  0.36  1.0  0.36  1.0
  Ir  Ir2  1  0.73  0.91  0.91  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

V Ir Ir Cl