data_Cr2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.75
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2HgOs
_chemical_formula_sum   'Cr2 Hg1 Os1'
_cell_volume   59.96
_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
  Cr  Cr0  1  0.42  0.87  0.09  1.0
  Cr  Cr1  1  0.42  0.87  0.55  1.0
  Hg  Hg2  1  0.0  0.0  0.82  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Cr2HgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.75
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2HgOs
_chemical_formula_sum   'Cr2 Hg1 Os1'
_cell_volume   59.96
_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
  Cr  Cr0  1  0.42  0.87  0.09  1.0
  Cr  Cr1  1  0.42  0.87  0.55  1.0
  Hg  Hg2  1  0.0  0.0  0.82  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Cr Cr Hg Os
Cr Cr Hg Os 0 3 o + o 1 2 o + o 1 2 + + o 2 3 o o + 