data_Hg2IrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   128.42
_cell_angle_beta   128.42
_cell_angle_gamma   75.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrW
_chemical_formula_sum   'Hg2 Ir1 W1'
_cell_volume   71.31
_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  0.14  0.0  0.94  1.0
  Hg  Hg1  1  0.0  0.0  0.88  1.0
  Ir  Ir2  1  0.0  0.14  0.94  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Hg2IrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.93
_cell_angle_alpha   115.79
_cell_angle_beta   115.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrW
_chemical_formula_sum   'Hg2 Ir1 W1'
_cell_volume   71.31
_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  0.06  0.0  0.2  1.0
  Hg  Hg1  1  0.12  0.0  0.12  1.0
  Ir  Ir2  1  0.2  0.14  0.2  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Hg Hg Ir W