data_MgHgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.48
_cell_length_c   3.19
_cell_angle_alpha   76.8
_cell_angle_beta   74.82
_cell_angle_gamma   28.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHgP
_chemical_formula_sum   'Mg1 Hg1 P1'
_cell_volume   61.95
_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
  Mg  Mg1  1  0.17  0.34  0.39  1.0
  Hg  Hg0  1  0.17  0.34  0.03  1.0
  P  P2  1  0.17  0.34  0.78  1.0

data_MgHgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   12.2
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   132.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgHgP
_chemical_formula_sum   'Mg2 Hg2 P2'
_cell_volume   123.89
_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
  Mg  Mg0  2  0.17  0.0  0.56  1.0
  Hg  Hg1  2  0.17  0.0  0.2  1.0
  P  P2  2  0.17  0.0  0.96  1.0

Mg Hg P
Mg Hg P 0 1 o o o 0 2 o o o 1 2 o o - 