data_MnIrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   6.75
_cell_length_c   2.97
_cell_angle_alpha   83.08
_cell_angle_beta   72.13
_cell_angle_gamma   24.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIrCl
_chemical_formula_sum   'Mn1 Ir1 Cl1'
_cell_volume   51.73
_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  Mn2  1  0.55  0.53  0.41  1.0
  Ir  Ir1  1  0.55  0.53  0.11  1.0
  Cl  Cl0  1  0.55  0.53  0.75  1.0

data_MnIrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.11
_cell_length_b   13.13
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   121.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnIrCl
_chemical_formula_sum   'Mn2 Ir2 Cl2'
_cell_volume   103.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.5  0.03  1.0
  Ir  Ir1  2  0.31  0.5  0.34  1.0
  Cl  Cl2  2  0.17  0.0  0.7  1.0

Mn Ir Cl
Mn Ir Cl 0 1 o o o 0 2 o o o 1 2 o o - 