data_MnV2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.4
_cell_angle_alpha   101.8
_cell_angle_beta   101.8
_cell_angle_gamma   33.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Ir
_chemical_formula_sum   'Mn1 V2 Ir1'
_cell_volume   52.73
_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
  Mn  Mn1  1  0.54  0.0  0.06  1.0
  V  V2  1  0.12  0.0  0.08  1.0
  V  V3  1  0.51  0.0  0.18  1.0
  Ir  Ir0  1  0.93  0.0  0.12  1.0

data_MnV2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.4
_cell_length_c   4.71
_cell_angle_alpha   101.8
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Ir
_chemical_formula_sum   'Mn1 V2 Ir1'
_cell_volume   52.73
_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
  Mn  Mn0  1  0.0  0.06  0.54  1.0
  V  V1  1  0.0  0.08  0.12  1.0
  V  V2  1  0.0  0.18  0.51  1.0
  Ir  Ir3  1  0.0  0.12  0.93  1.0

Mn V V Ir