data_LaZn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   18.62
_cell_angle_beta   18.62
_cell_angle_gamma   18.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Si
_chemical_formula_sum   'La1 Zn2 Si1'
_cell_volume   81.99
_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  0.0  0.34  1.0
  Zn  Zn2  1  0.0  0.0  0.13  1.0
  Zn  Zn3  1  0.0  0.0  0.55  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_LaZn2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   3.15
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaZn2Si
_chemical_formula_sum   'La2 Zn4 Si2'
_cell_volume   163.98
_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  0.66  1.0
  Zn  Zn1  2  -0.0  0.0  0.45  1.0
  Zn  Zn2  2  0.0  0.0  0.87  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

La Zn Zn Si
La Zn Zn Si 0 1 o o o 0 2 o o o 1 3 o o o 