data_[Mn2Hg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [14.0570]
_cell_length_b [3.9636]
_cell_length_c [18.3243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnHgBr4]
_chemical_formula_sum '[Mn2 Hg2 Br8]'
_cell_volume [1020.9561]
_cell_formula_units_Z [2]
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  2  0.3804  0.2500  0.5053  1
  Hg  Hg1  2  0.1305  0.7500  0.5078  1
  Br  Br2  2  0.0410  0.2500  0.5907  1
  Br  Br3  2  0.2193  0.2500  0.4209  1
  Br  Br4  2  0.3096  0.7500  0.5893  1
  Br  Br5  2  0.4534  0.7500  0.4201  1
]