data_Ba2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   42.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgP
_chemical_formula_sum   'Ba2 Hg1 P1'
_cell_volume   140.22
_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  0.0  0.0  0.08  1.0
  Ba  Ba1  1  0.46  0.0  0.01  1.0
  Hg  Hg2  1  0.46  0.0  0.54  1.0
  P  P3  1  0.0  0.0  0.57  1.0

data_Ba2HgP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.92
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   111.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgP
_chemical_formula_sum   'Ba2 Hg1 P1'
_cell_volume   140.22
_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  0.92  0.0  0.92  1.0
  Ba  Ba1  1  0.99  0.46  0.99  1.0
  Hg  Hg2  1  0.46  0.46  0.46  1.0
  P  P3  1  0.43  0.0  0.43  1.0

Ba Ba Hg P