data_[Mn2Ga4Hg2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2033]
_cell_length_b [7.5108]
_cell_length_c [11.0544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnGa2HgBr8]
_chemical_formula_sum '[Mn2 Ga4 Hg2 Br16]'
_cell_volume [900.8227]
_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  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  4  0.1871  0.5000  0.1875  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.0530  0.2463  0.1854  1.0
  Br  Br4  4  0.1602  0.0000  0.6298  1.0
  Br  Br5  4  0.2431  0.0000  0.0007  1.0
]