data_[Sr4Ca4Al4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3529]
_cell_length_b [12.2358]
_cell_length_c [5.3527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrCaAlO4]
_chemical_formula_sum '[Sr4 Ca4 Al4 O16]'
_cell_volume [350.5849]
_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  0.1046  0.2500  1.0
  Ca  Ca1  4  0.0000  0.3912  0.2500  1.0
  Al  Al2  4  0.0000  0.2524  0.7500  1.0
  O  O3  8  0.2500  0.2500  0.0000  1.0
  O  O4  4  0.0000  0.0951  0.7500  1.0
  O  O5  4  0.0000  0.4134  0.7500  1.0
]