data_BaHgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.16
_cell_length_c   3.96
_cell_angle_alpha   71.59
_cell_angle_beta   70.98
_cell_angle_gamma   37.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHgP
_chemical_formula_sum   'Ba1 Hg1 P1'
_cell_volume   86.24
_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
  Ba  Ba0  1  0.78  0.82  0.96  1.0
  Hg  Hg1  1  0.78  0.82  0.6  1.0
  P  P2  1  0.78  0.82  0.44  1.0

data_BaHgP
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.96
_cell_length_b   11.0
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   BaHgP
_chemical_formula_sum   'Ba2 Hg2 P2'
_cell_volume   172.5
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Ba  Ba0  2  0.0  0.0  0.78  1.0
  Hg  Hg1  2  0.0  0.0  0.42  1.0
  P  P2  2  0.0  0.0  0.27  1.0

Ba Hg P
Ba Hg P 0 1 o o o 1 2 o o o 