data_[Cs1Mn2In1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8007]
_cell_length_b [6.9903]
_cell_length_c [9.7946]
_cell_angle_alpha [79.2629]
_cell_angle_beta [74.2350]
_cell_angle_gamma [67.5826]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMn2InBr8]
_chemical_formula_sum '[Cs1 Mn2 In1 Br8]'
_cell_volume [412.4576]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  2  0.4232  0.4220  0.7106  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0679  0.6830  0.8329  1.0
  Br  Br4  2  0.2315  0.6942  0.1873  1.0
  Br  Br5  2  0.3580  0.0636  0.8439  1.0
  Br  Br6  2  0.4027  0.3137  0.4780  1.0
]