data_TaHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   157.72
_cell_angle_beta   150.54
_cell_angle_gamma   37.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2P
_chemical_formula_sum   'Ta1 Hg2 P1'
_cell_volume   87.04
_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
  Ta  Ta3  1  0.0  0.0  0.35  1.0
  Hg  Hg0  1  0.0  0.97  0.67  1.0
  Hg  Hg1  1  0.5  0.0  0.69  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TaHg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.95
_cell_length_c   7.76
_cell_angle_alpha   104.73
_cell_angle_beta   101.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2P
_chemical_formula_sum   'Ta1 Hg2 P1'
_cell_volume   87.04
_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
  Ta  Ta0  1  0.0  0.35  0.35  1.0
  Hg  Hg1  1  0.0  0.69  0.19  1.0
  Hg  Hg2  1  0.03  0.69  0.69  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ta Hg Hg P