data_MnIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   97.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIrCl2
_chemical_formula_sum   'Mn1 Ir1 Cl2'
_cell_volume   84.87
_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  0.19  0.0  0.93  1.0
  Ir  Ir2  1  0.92  0.73  0.05  1.0
  Cl  Cl0  1  0.4  0.73  0.38  1.0
  Cl  Cl1  1  0.73  0.0  0.32  1.0

data_MnIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   97.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIrCl2
_chemical_formula_sum   'Mn1 Ir1 Cl2'
_cell_volume   84.87
_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  0.19  0.0  0.93  1.0
  Ir  Ir1  1  0.92  0.73  0.05  1.0
  Cl  Cl2  1  0.4  0.73  0.38  1.0
  Cl  Cl3  1  0.73  0.0  0.32  1.0

Mn Ir Cl Cl