data_[Mn1In1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2086]
_cell_length_b [6.2491]
_cell_length_c [6.6241]
_cell_angle_alpha [65.7512]
_cell_angle_beta [62.7860]
_cell_angle_gamma [63.4450]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnInCl6]
_chemical_formula_sum '[Mn1 In1 Cl6]'
_cell_volume [197.4520]
_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  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.5000  0.5000  0.5000  1.0
  Cl  Cl2  2  0.0729  0.7688  0.7659  1.0
  Cl  Cl3  2  0.2576  0.5882  0.2575  1.0
  Cl  Cl4  2  0.3769  0.0835  0.7660  1.0
]