data_[Sr4Ca4Si16]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.6651]
_cell_length_b [15.8280]
_cell_length_c [4.5545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [SrCaSi4]
_chemical_formula_sum '[Sr4 Ca4 Si16]'
_cell_volume [552.5639]
_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  0.1198  0.1553  0.5000  1
  Ca  Ca1  4  0.1281  0.4118  0.5000  1
  Si  Si2  4  0.0421  0.6903  0.0000  1
  Si  Si3  4  0.1168  0.9485  0.0000  1
  Si  Si4  4  0.1327  0.5420  0.0000  1
  Si  Si5  4  0.2322  0.8053  0.0000  1
]