data_V2SiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.6
_cell_angle_alpha   97.73
_cell_angle_beta   97.73
_cell_angle_gamma   34.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SiIr
_chemical_formula_sum   'V2 Si1 Ir1'
_cell_volume   53.88
_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  0.05  0.0  0.07  1.0
  V  V3  1  0.65  0.0  0.39  1.0
  Si  Si1  1  0.42  0.0  0.08  1.0
  Ir  Ir0  1  0.98  0.0  0.3  1.0

data_V2SiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.56
_cell_length_c   4.6
_cell_angle_alpha   97.73
_cell_angle_beta   90.0
_cell_angle_gamma   107.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SiIr
_chemical_formula_sum   'V2 Si1 Ir1'
_cell_volume   53.88
_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  0.35  0.61  1.0
  V  V1  1  0.0  0.95  0.93  1.0
  Si  Si2  1  0.0  0.58  0.92  1.0
  Ir  Ir3  1  0.0  0.02  0.7  1.0

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