data_V2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   139.64
_cell_angle_beta   131.7
_cell_angle_gamma   64.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GeIr
_chemical_formula_sum   'V2 Ge1 Ir1'
_cell_volume   55.98
_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  0.0  0.0  0.04  1.0
  V  V3  1  0.69  0.0  0.03  1.0
  Ge  Ge0  1  0.0  0.0  0.12  1.0
  Ir  Ir1  1  0.0  0.0  0.08  1.0

data_V2GeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.01
_cell_length_c   4.9
_cell_angle_alpha   114.15
_cell_angle_beta   110.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GeIr
_chemical_formula_sum   'V2 Ge1 Ir1'
_cell_volume   55.98
_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  0.66  0.97  0.66  1.0
  V  V1  1  0.96  0.96  0.96  1.0
  Ge  Ge2  1  0.88  0.88  0.88  1.0
  Ir  Ir3  1  0.92  0.92  0.92  1.0

V V Ge Ir