data_[Hg5Ge1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0646]
_cell_length_b [7.2637]
_cell_length_c [7.3357]
_cell_angle_alpha [89.8849]
_cell_angle_beta [61.6132]
_cell_angle_gamma [62.1366]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg5GeBr2]
_chemical_formula_sum '[Hg5 Ge1 Br2]'
_cell_volume [280.8011]
_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
[
  Hg  Hg0  1  0.1842  0.6213  0.2211  1.0
  Hg  Hg1  1  0.2183  0.2090  0.1600  1.0
  Hg  Hg2  1  0.2962  0.8344  0.7118  1.0
  Hg  Hg3  1  0.5568  0.2396  0.2619  1.0
  Hg  Hg4  1  0.7980  0.8258  0.7329  1.0
  Ge  Ge5  1  0.0348  0.9859  0.1216  1.0
  Br  Br6  1  0.3137  0.3641  0.7248  1.0
  Br  Br7  1  0.5980  0.6970  0.2887  1.0
]