data_LaTaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.75
_cell_length_b   10.75
_cell_length_c   10.75
_cell_angle_alpha   17.08
_cell_angle_beta   17.08
_cell_angle_gamma   17.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaHg2
_chemical_formula_sum   'La1 Ta1 Hg2'
_cell_volume   93.39
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.88  1.0
  Hg  Hg0  1  0.0  0.0  0.06  1.0
  Hg  Hg1  1  0.0  0.0  0.7  1.0

data_LaTaHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   10.75
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTaHg2
_chemical_formula_sum   'La2 Ta2 Hg4'
_cell_volume   186.77
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.12  1.0
  Hg  Hg2  2  0.0  0.0  0.3  1.0
  Hg  Hg3  2  0.0  0.0  0.94  1.0

La Ta Hg Hg