data_VIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   152.08
_cell_angle_beta   134.77
_cell_angle_gamma   54.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIn2Ir
_chemical_formula_sum   'V1 In2 Ir1'
_cell_volume   75.19
_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  0.06  1.0
  In  In0  1  0.47  0.0  0.28  1.0
  In  In1  1  0.0  0.0  0.89  1.0
  Ir  Ir2  1  0.47  0.0  0.09  1.0

data_VIn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.69
_cell_length_c   6.1
_cell_angle_alpha   112.62
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIn2Ir
_chemical_formula_sum   'V1 In2 Ir1'
_cell_volume   75.19
_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  0.06  0.06  1.0
  In  In1  1  0.0  0.28  0.81  1.0
  In  In2  1  0.0  0.89  0.89  1.0
  Ir  Ir3  1  0.0  0.09  0.62  1.0

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