data_YHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   133.37
_cell_angle_beta   133.37
_cell_angle_gamma   68.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHg2Os
_chemical_formula_sum   'Y1 Hg2 Os1'
_cell_volume   81.29
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.13  0.0  0.23  1.0
  Hg  Hg1  1  0.0  0.13  0.23  1.0
  Os  Os2  1  0.0  0.0  0.47  1.0

data_YHg2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   124.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHg2Os
_chemical_formula_sum   'Y2 Hg4 Os2'
_cell_volume   162.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  4  0.43  0.43  0.1  1.0
  Os  Os2  2  0.0  0.0  0.47  1.0

Y Hg Hg Os
Y Hg Hg Os 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 