data_SrHg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Se
_chemical_formula_sum   'Sr1 Hg2 Se1'
_cell_volume   121.48
_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  0.06  0.0  0.0  1.0
  Hg  Hg0  1  0.06  0.6  0.19  1.0
  Hg  Hg1  1  0.06  0.4  0.19  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_SrHg2Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrHg2Se
_chemical_formula_sum   'Sr1 Hg2 Se1'
_cell_volume   121.5
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.06  0.0  -0.0  1.0
  Hg  Hg1  2  0.06  0.4  0.19  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

Sr Hg Hg Se
Sr Hg Hg Se 0 3 o o o 1 2 o o o 