data_[Sr4La4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3621]
_cell_length_b [15.0614]
_cell_length_c [7.5685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrLaI4]
_chemical_formula_sum '[Sr4 La4 I16]'
_cell_volume [968.3806]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.3652  0.7500  1.0
  La  La1  4  0.0000  0.0004  0.2500  1.0
  I  I2  8  0.1230  0.8233  0.5877  1.0
  I  I3  8  0.1958  0.4385  0.2626  1.0
]