data_HgAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   6.93
_cell_angle_alpha   154.7
_cell_angle_beta   145.4
_cell_angle_gamma   43.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Os
_chemical_formula_sum   'Hg1 As2 Os1'
_cell_volume   80.6
_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  0.0  0.06  0.76  1.0
  As  As0  1  0.0  0.06  0.53  1.0
  As  As1  1  0.0  0.0  1.0  1.0
  Os  Os3  1  0.0  0.0  0.04  1.0

data_HgAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.12
_cell_length_c   6.93
_cell_angle_alpha   107.3
_cell_angle_beta   102.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Os
_chemical_formula_sum   'Hg1 As2 Os1'
_cell_volume   80.6
_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  0.24  0.3  0.3  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.47  0.54  0.54  1.0
  Os  Os3  1  0.96  0.96  0.96  1.0

Hg As As Os