data_La2NiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   132.96
_cell_angle_beta   132.96
_cell_angle_gamma   68.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiHg
_chemical_formula_sum   'La2 Ni1 Hg1'
_cell_volume   99.49
_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  0.0  0.0  0.74  1.0
  La  La2  1  0.0  0.29  0.37  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.29  0.0  0.37  1.0

data_La2NiHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.74
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiHg
_chemical_formula_sum   'La2 Ni1 Hg1'
_cell_volume   99.49
_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  0.26  0.0  0.26  1.0
  La  La1  1  0.92  0.29  0.92  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.63  0.0  0.92  1.0

La La Ni Hg