data_[Cs1Mn1Hg1Br6]
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
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2758]
_cell_length_b [7.2940]
_cell_length_c [7.7587]
_cell_angle_alpha [71.3765]
_cell_angle_beta [79.8021]
_cell_angle_gamma [67.4946]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsMnHgBr6]
_chemical_formula_sum '[Cs1 Mn1 Hg1 Br6]'
_cell_volume [359.7712]
_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  0.1254  0.0760  0.0830  1.0
  Mn  Mn1  1  0.3714  0.2846  0.4585  1.0
  Hg  Hg2  1  0.7069  0.6275  0.5131  1.0
  Br  Br3  1  0.0944  0.5115  0.2553  1.0
  Br  Br4  1  0.2027  0.0445  0.6021  1.0
  Br  Br5  1  0.5035  0.2449  0.7349  1.0
  Br  Br6  1  0.5284  0.5572  0.2919  1.0
  Br  Br7  1  0.6204  0.0461  0.2698  1.0
  Br  Br8  1  0.8470  0.6077  0.7912  1.0
]