data_Hg2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   144.99
_cell_angle_beta   128.22
_cell_angle_gamma   64.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PIr
_chemical_formula_sum   'Hg2 P1 Ir1'
_cell_volume   73.15
_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  0.39  0.36  1.0
  Hg  Hg1  1  0.65  0.0  0.28  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.64  1.0

data_Hg2PIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.78
_cell_length_c   5.48
_cell_angle_alpha   115.89
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PIr
_chemical_formula_sum   'Hg2 P1 Ir1'
_cell_volume   73.15
_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  0.28  0.63  1.0
  Hg  Hg1  1  0.61  0.97  0.97  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.64  0.64  1.0

Hg Hg P Ir