data_LaCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.65
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuSi2
_chemical_formula_sum   'La1 Cu1 Si2'
_cell_volume   74.87
_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  0.3  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.56  0.82  0.43  1.0
  Si  Si3  1  0.56  0.82  0.17  1.0

data_LaCuSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.65
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuSi2
_chemical_formula_sum   'La1 Cu1 Si2'
_cell_volume   74.87
_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  0.3  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.56  0.82  0.17  1.0
  Si  Si3  1  0.56  0.82  0.43  1.0

La Cu Si Si
La Cu Si Si 0 3 - - o 0 3 o - o 0 2 - - o 0 2 o - o 0 1 o o o 1 3 - - o 1 3 o - o 2 3 o o o 