data_Zr2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2HgP
_chemical_formula_sum   'Zr2 Hg1 P1'
_cell_volume   78.54
_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  0.26  0.93  1.0
  Zr  Zr3  1  0.26  0.0  0.93  1.0
  Hg  Hg0  1  0.26  0.26  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Zr2HgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2HgP
_chemical_formula_sum   'Zr4 Hg2 P2'
_cell_volume   157.09
_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  4  0.13  0.13  0.93  1.0
  Hg  Hg1  2  0.26  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Zr Zr Hg P