data_CoHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.0
_cell_angle_alpha   105.76
_cell_angle_beta   105.76
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgAs2
_chemical_formula_sum   'Co1 Hg1 As2'
_cell_volume   74.93
_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  0.74  0.0  0.0  1.0
  As  As0  1  0.43  0.06  0.77  1.0
  As  As1  1  0.43  0.94  0.77  1.0

data_CoHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   109.51
_cell_angle_beta   105.76
_cell_angle_gamma   105.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgAs2
_chemical_formula_sum   'Co1 Hg1 As2'
_cell_volume   74.93
_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  0.74  0.0  1.0
  As  As2  1  0.77  0.43  0.06  1.0
  As  As3  1  0.77  0.43  0.94  1.0

Co Hg As As