data_V2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   144.69
_cell_angle_beta   133.69
_cell_angle_gamma   59.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BIr
_chemical_formula_sum   'V2 B1 Ir1'
_cell_volume   46.2
_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  0.46  0.0  0.0  1.0
  V  V3  1  0.0  0.89  0.18  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.18  1.0

data_V2BIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.79
_cell_length_c   4.81
_cell_angle_alpha   113.15
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BIr
_chemical_formula_sum   'V2 B1 Ir1'
_cell_volume   46.2
_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  0.0  0.54  1.0
  V  V1  1  0.11  0.28  0.28  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.18  0.18  1.0

V V B Ir