data_[La2Al2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4431]
_cell_length_b [3.8724]
_cell_length_c [5.4833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaAlSi2]
_chemical_formula_sum '[La2 Al2 Si4]'
_cell_volume [169.8980]
_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  0.2499  0.5000  0.2468  1
  Al  Al1  2  0.0249  0.5000  0.6101  1
  Si  Si2  2  0.2514  0.0000  0.7553  1
  Si  Si3  2  0.4738  0.5000  0.8878  1
]