data_SrHg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.09
_cell_length_c   4.47
_cell_angle_alpha   71.88
_cell_angle_beta   71.39
_cell_angle_gamma   36.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Br
_chemical_formula_sum   'Sr1 Hg2 Br1'
_cell_volume   127.2
_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
  Sr  Sr3  1  0.14  0.19  0.36  1.0
  Hg  Hg1  1  0.14  0.59  0.18  1.0
  Hg  Hg2  1  0.0  0.59  0.18  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrHg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   7.09
_cell_angle_alpha   108.12
_cell_angle_beta   108.12
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Br
_chemical_formula_sum   'Sr1 Hg2 Br1'
_cell_volume   127.2
_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
  Sr  Sr0  1  0.36  0.86  0.67  1.0
  Hg  Hg1  1  0.18  0.0  0.41  1.0
  Hg  Hg2  1  0.18  0.86  0.27  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Hg Hg Br