data_LaV2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   147.09
_cell_angle_beta   127.24
_cell_angle_gamma   63.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Ir
_chemical_formula_sum   'La1 V2 Ir1'
_cell_volume   71.47
_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
  La  La1  1  0.0  0.0  0.01  1.0
  V  V2  1  0.56  0.0  0.16  1.0
  V  V3  1  0.0  0.0  0.38  1.0
  Ir  Ir0  1  0.56  0.0  0.49  1.0

data_LaV2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.89
_cell_length_c   5.51
_cell_angle_alpha   116.38
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Ir
_chemical_formula_sum   'La1 V2 Ir1'
_cell_volume   71.47
_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
  La  La0  1  0.99  0.99  0.99  1.0
  V  V1  1  0.4  0.84  0.4  1.0
  V  V2  1  0.62  0.62  0.62  1.0
  Ir  Ir3  1  0.07  0.51  0.07  1.0

La V V Ir