data_CoHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   7.9
_cell_angle_alpha   99.36
_cell_angle_beta   99.36
_cell_angle_gamma   46.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgAs2
_chemical_formula_sum   'Co1 Hg1 As2'
_cell_volume   81.37
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.77  0.0  0.89  1.0
  As  As0  1  0.47  0.0  0.56  1.0
  As  As1  1  0.08  0.0  0.21  1.0

data_CoHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.79
_cell_length_c   7.9
_cell_angle_alpha   99.36
_cell_angle_beta   90.0
_cell_angle_gamma   113.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgAs2
_chemical_formula_sum   'Co1 Hg1 As2'
_cell_volume   81.37
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.23  0.11  1.0
  As  As2  1  0.0  0.53  0.44  1.0
  As  As3  1  0.0  0.92  0.79  1.0

Co Hg As As