data_ZrHgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   146.4
_cell_angle_beta   146.4
_cell_angle_gamma   48.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHgP
_chemical_formula_sum   'Zr1 Hg1 P1'
_cell_volume   63.42
_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  0.0  0.63  1.0
  Hg  Hg0  1  0.0  0.0  0.8  1.0
  P  P1  1  0.0  0.0  0.19  1.0

data_ZrHgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrHgP
_chemical_formula_sum   'Zr2 Hg2 P2'
_cell_volume   126.85
_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
  Zr  Zr0  2  0.0  0.0  0.37  1.0
  Hg  Hg1  2  0.0  0.0  0.2  1.0
  P  P2  2  0.0  0.0  0.81  1.0

Zr Hg P