data_Zr2HgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   135.48
_cell_angle_beta   135.48
_cell_angle_gamma   64.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2HgRh
_chemical_formula_sum   'Zr2 Hg1 Rh1'
_cell_volume   78.72
_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
  Zr  Zr2  1  0.0  0.07  0.3  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.07  0.0  0.3  1.0
  Rh  Rh1  1  0.0  0.0  0.61  1.0

data_Zr2HgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.46
_cell_angle_alpha   112.26
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2HgRh
_chemical_formula_sum   'Zr2 Hg1 Rh1'
_cell_volume   78.72
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.24  0.3  0.24  1.0
  Hg  Hg2  1  0.3  0.24  0.24  1.0
  Rh  Rh3  1  0.61  0.61  0.61  1.0

Zr Zr Hg Rh
Zr Zr Hg Rh 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o - 2 3 o o o 