data_[La6Ga2Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0594]
_cell_length_b [4.5361]
_cell_length_c [18.6070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [La3GaSi3]
_chemical_formula_sum '[La6 Ga2 Si6]'
_cell_volume [342.6322]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0030  1
  La  La1  2  0.0000  0.5000  0.3144  1
  La  La2  2  0.0000  0.5000  0.6831  1
  Ga  Ga3  2  0.0000  0.0000  0.4348  1
  Si  Si4  2  0.0000  0.0000  0.5663  1
  Si  Si5  2  0.0000  0.5000  0.1397  1
  Si  Si6  2  0.0000  0.5000  0.8588  1
]