data_Cu2HgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgAs
_chemical_formula_sum   'Cu2 Hg1 As1'
_cell_volume   65.49
_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
  Cu  Cu1  1  0.48  0.89  0.46  1.0
  Cu  Cu2  1  0.48  0.11  0.46  1.0
  Hg  Hg3  1  0.96  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Cu2HgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   103.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgAs
_chemical_formula_sum   'Cu2 Hg1 As1'
_cell_volume   65.49
_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
  Cu  Cu0  1  0.46  0.48  0.11  1.0
  Cu  Cu1  1  0.46  0.48  0.89  1.0
  Hg  Hg2  1  0.0  0.96  0.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Cu Cu Hg As