data_LaHg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   143.35
_cell_angle_beta   143.35
_cell_angle_gamma   52.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHg4
_chemical_formula_sum   'La1 Hg4'
_cell_volume   134.28
_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  La4  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.28  0.0  0.24  1.0
  Hg  Hg1  1  0.0  0.0  0.09  1.0
  Hg  Hg2  1  0.0  0.0  0.87  1.0
  Hg  Hg3  1  0.0  0.28  0.24  1.0

data_LaHg4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   116.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaHg4
_chemical_formula_sum   'La2 Hg8'
_cell_volume   268.55
_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
  Hg  Hg1  4  0.1  0.14  0.97  1.0
  Hg  Hg2  2  0.09  0.0  0.09  1.0
  Hg  Hg3  2  0.37  0.5  0.87  1.0

La Hg Hg Hg Hg