data_GaHg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   5.51
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   93.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg2As
_chemical_formula_sum   'Ga1 Hg2 As1'
_cell_volume   92.34
_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  Ga1  1  0.52  0.0  0.56  1.0
  Hg  Hg2  1  0.16  0.75  0.57  1.0
  Hg  Hg3  1  0.72  0.0  0.84  1.0
  As  As0  1  0.06  0.75  0.38  1.0

data_GaHg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.51
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   93.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg2As
_chemical_formula_sum   'Ga1 Hg2 As1'
_cell_volume   92.34
_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  0.52  0.0  0.56  1.0
  Hg  Hg1  1  0.16  0.75  0.57  1.0
  Hg  Hg2  1  0.72  0.0  0.84  1.0
  As  As3  1  0.06  0.75  0.38  1.0

Ga Hg Hg As
Ga Hg Hg As 0 1 o - o 0 2 o o o 1 3 o o o 