data_CoHgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   3.74
_cell_angle_alpha   109.36
_cell_angle_beta   109.36
_cell_angle_gamma   115.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgP2
_chemical_formula_sum   'Co1 Hg1 P2'
_cell_volume   64.43
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.64  0.0  0.0  1.0
  P  P2  1  0.17  0.93  0.47  1.0
  P  P3  1  0.17  0.07  0.47  1.0

data_CoHgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.18
_cell_length_c   4.92
_cell_angle_alpha   112.46
_cell_angle_beta   109.36
_cell_angle_gamma   96.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgP2
_chemical_formula_sum   'Co1 Hg1 P2'
_cell_volume   64.43
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  -0.0  0.0  0.64  1.0
  P  P2  1  0.4  0.93  0.09  1.0
  P  P3  1  0.54  0.07  0.24  1.0

Co Hg P P
Co Hg P P 0 1 - o o 0 3 o o o 2 3 o + o 