data_MnCd2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   2.92
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   117.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Ir
_chemical_formula_sum   'Mn1 Cd2 Ir1'
_cell_volume   69.52
_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
  Cd  Cd0  1  0.88  0.29  0.37  1.0
  Cd  Cd1  1  0.88  0.71  0.37  1.0
  Ir  Ir2  1  0.76  0.0  0.0  1.0

data_MnCd2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.29
_cell_length_c   5.35
_cell_angle_alpha   116.19
_cell_angle_beta   100.16
_cell_angle_gamma   101.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Ir
_chemical_formula_sum   'Mn1 Cd2 Ir1'
_cell_volume   69.52
_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
  Cd  Cd1  1  0.08  0.71  0.59  1.0
  Cd  Cd2  1  0.66  0.29  0.17  1.0
  Ir  Ir3  1  -0.0  0.0  0.76  1.0

Mn Cd Cd Ir