data_LaTa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.28
_cell_angle_alpha   95.47
_cell_angle_beta   95.47
_cell_angle_gamma   34.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Hg
_chemical_formula_sum   'La1 Ta2 Hg1'
_cell_volume   93.64
_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  La1  1  0.29  0.0  0.56  1.0
  Ta  Ta2  1  0.08  0.0  0.87  1.0
  Ta  Ta3  1  0.91  0.0  0.88  1.0
  Hg  Hg0  1  0.68  0.0  0.3  1.0

data_LaTa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.14
_cell_length_c   6.28
_cell_angle_alpha   95.47
_cell_angle_beta   90.0
_cell_angle_gamma   107.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Hg
_chemical_formula_sum   'La1 Ta2 Hg1'
_cell_volume   93.64
_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  La0  1  0.0  0.71  0.44  1.0
  Ta  Ta1  1  0.0  0.09  0.12  1.0
  Ta  Ta2  1  0.0  0.92  0.13  1.0
  Hg  Hg3  1  0.0  0.32  0.7  1.0

La Ta Ta Hg