data_VIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   123.94
_cell_angle_beta   123.94
_cell_angle_gamma   83.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIn2Ir
_chemical_formula_sum   'V1 In2 Ir1'
_cell_volume   70.0
_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  0.0  1.0
  In  In0  1  0.22  0.0  0.77  1.0
  In  In1  1  0.0  0.22  0.77  1.0
  Ir  Ir2  1  0.0  0.0  0.54  1.0

data_VIn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   131.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VIn2Ir
_chemical_formula_sum   'V2 In4 Ir2'
_cell_volume   140.0
_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  0.0  1.0
  In  In1  4  0.39  0.39  0.54  1.0
  Ir  Ir2  2  0.0  0.0  0.54  1.0

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