data_MnInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   146.78
_cell_angle_beta   124.98
_cell_angle_gamma   65.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInCl2
_chemical_formula_sum   'Mn1 In1 Cl2'
_cell_volume   93.2
_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  0.6  1.0
  In  In2  1  0.0  0.75  0.3  1.0
  Cl  Cl0  1  0.0  0.75  0.41  1.0
  Cl  Cl1  1  0.0  0.0  0.67  1.0

data_MnInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.49
_cell_length_c   5.95
_cell_angle_alpha   117.51
_cell_angle_beta   106.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInCl2
_chemical_formula_sum   'Mn1 In1 Cl2'
_cell_volume   93.2
_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  0.6  0.6  1.0
  In  In1  1  0.25  0.55  0.55  1.0
  Cl  Cl2  1  0.0  0.67  0.67  1.0
  Cl  Cl3  1  0.25  0.66  0.66  1.0

Mn In Cl Cl
Mn In Cl Cl 0 3 o o o 1 2 o o o 