data_MnGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   132.96
_cell_angle_beta   132.96
_cell_angle_gamma   68.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaIr2
_chemical_formula_sum   'Mn1 Ga1 Ir2'
_cell_volume   54.57
_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  Mn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.88  0.0  0.94  1.0
  Ir  Ir1  1  0.0  0.0  0.88  1.0
  Ir  Ir2  1  0.0  0.88  0.94  1.0

data_MnGaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.7
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaIr2
_chemical_formula_sum   'Mn1 Ga1 Ir2'
_cell_volume   54.57
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.94  0.06  0.06  1.0
  Ir  Ir2  1  0.06  0.94  0.06  1.0
  Ir  Ir3  1  0.88  0.88  0.88  1.0

Mn Ga Ir Ir
Mn Ga Ir Ir 0 1 - o - 0 3 o - - 0 2 o o - 