data_HgAsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.3
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsBr2
_chemical_formula_sum   'Hg1 As1 Br2'
_cell_volume   112.71
_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  Hg3  1  0.04  0.15  0.25  1.0
  As  As0  1  0.0  0.0  0.48  1.0
  Br  Br1  1  0.04  0.15  0.29  1.0
  Br  Br2  1  0.0  0.0  0.01  1.0

data_HgAsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.3
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsBr2
_chemical_formula_sum   'Hg1 As1 Br2'
_cell_volume   112.71
_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  0.04  0.15  0.25  1.0
  As  As1  1  0.0  0.0  0.48  1.0
  Br  Br2  1  0.0  0.0  0.01  1.0
  Br  Br3  1  0.04  0.15  0.29  1.0

Hg As Br Br
Hg As Br Br 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 