data_NiHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2P
_chemical_formula_sum   'Ni1 Hg2 P1'
_cell_volume   78.65
_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
  Ni  Ni2  1  0.83  0.0  0.0  1.0
  Hg  Hg0  1  0.83  0.45  0.14  1.0
  Hg  Hg1  1  0.83  0.55  0.14  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_NiHg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   97.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2P
_chemical_formula_sum   'Ni1 Hg2 P1'
_cell_volume   78.65
_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
  Ni  Ni0  1  0.0  0.83  0.0  1.0
  Hg  Hg1  1  0.14  0.83  0.45  1.0
  Hg  Hg2  1  0.14  0.83  0.55  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ni Hg Hg P