data_MnCd2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Ir
_chemical_formula_sum   'Mn1 Cd2 Ir1'
_cell_volume   69.44
_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  0.42  0.02  0.51  1.0
  Cd  Cd1  1  0.42  0.98  0.51  1.0
  Ir  Ir2  1  0.84  0.0  0.0  1.0

data_MnCd2Ir
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.93
_cell_length_b   3.03
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   109.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnCd2Ir
_chemical_formula_sum   'Mn1 Cd2 Ir1'
_cell_volume   69.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.42  0.5  0.02  1.0
  Cd  Cd2  1  0.42  0.5  0.98  1.0
  Ir  Ir3  1  0.84  0.0  0.0  1.0

Mn Cd Cd Ir