data_HgAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   131.57
_cell_angle_beta   131.57
_cell_angle_gamma   70.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Pt
_chemical_formula_sum   'Hg1 As2 Pt1'
_cell_volume   75.65
_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
  Hg  Hg2  1  0.12  0.0  0.1  1.0
  As  As0  1  0.0  0.12  0.1  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.21  1.0

data_HgAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.17
_cell_angle_alpha   114.22
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Pt
_chemical_formula_sum   'Hg1 As2 Pt1'
_cell_volume   75.65
_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
  Hg  Hg0  1  0.9  0.0  0.01  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.01  0.12  0.01  1.0
  Pt  Pt3  1  0.79  0.0  0.79  1.0

Hg As As Pt