data_GaHg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   119.36
_cell_angle_beta   119.36
_cell_angle_gamma   91.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg2Se
_chemical_formula_sum   'Ga1 Hg2 Se1'
_cell_volume   97.61
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.6  0.0  0.8  1.0
  Hg  Hg2  1  0.0  0.0  0.61  1.0
  Se  Se3  1  0.0  0.6  0.8  1.0

data_GaHg2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   91.11
_cell_angle_beta   119.36
_cell_angle_gamma   119.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg2Se
_chemical_formula_sum   'Ga1 Hg2 Se1'
_cell_volume   97.61
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.61  0.61  0.61  1.0
  Hg  Hg2  1  0.8  0.2  0.8  1.0
  Se  Se3  1  0.8  0.8  0.2  1.0

Ga Hg Hg Se