data_La2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.84
_cell_angle_alpha   94.27
_cell_angle_beta   94.27
_cell_angle_gamma   95.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrHg
_chemical_formula_sum   'La2 Cr1 Hg1'
_cell_volume   98.71
_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  0.5  0.11  0.91  1.0
  La  La3  1  0.5  0.89  0.91  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.42  0.0  0.0  1.0

data_La2CrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   95.79
_cell_angle_beta   94.27
_cell_angle_gamma   94.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrHg
_chemical_formula_sum   'La2 Cr1 Hg1'
_cell_volume   98.71
_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  0.91  0.5  0.11  1.0
  La  La1  1  0.91  0.5  0.89  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.42  0.0  1.0

La La Cr Hg