data_Mn2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaIr
_chemical_formula_sum   'Mn2 Ga1 Ir1'
_cell_volume   51.13
_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  Mn2  1  0.25  0.08  0.33  1.0
  Mn  Mn3  1  0.25  0.92  0.33  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.49  0.0  0.0  1.0

data_Mn2GaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   114.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaIr
_chemical_formula_sum   'Mn2 Ga1 Ir1'
_cell_volume   51.13
_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  0.33  0.25  0.92  1.0
  Mn  Mn1  1  0.33  0.25  0.08  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.49  0.0  1.0

Mn Mn Ga Ir