data_Hg2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   3.88
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TeOs
_chemical_formula_sum   'Hg2 Te1 Os1'
_cell_volume   104.67
_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  0.28  0.94  0.07  1.0
  Hg  Hg1  1  0.55  0.0  0.79  1.0
  Te  Te3  1  0.84  0.0  0.67  1.0
  Os  Os2  1  0.26  0.94  0.43  1.0

data_Hg2TeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.2
_cell_length_c   5.49
_cell_angle_alpha   109.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TeOs
_chemical_formula_sum   'Hg2 Te1 Os1'
_cell_volume   104.67
_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  0.0  0.45  0.21  1.0
  Hg  Hg1  1  0.06  0.72  0.93  1.0
  Te  Te2  1  0.0  0.16  0.33  1.0
  Os  Os3  1  0.06  0.74  0.57  1.0

Hg Hg Te Os
Hg Hg Te Os 0 3 o o o 1 3 o - o 1 2 o o o 