data_[Sr16Ca24]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [13.4287]
_cell_length_b [19.6457]
_cell_length_c [7.1403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Sr2Ca3]
_chemical_formula_sum '[Sr16 Ca24]'
_cell_volume [1883.7119]
_cell_formula_units_Z [8]
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  16  0.0233  0.3012  0.2480  1.0
  Ca  Ca1  16  0.0336  0.4017  0.7218  1.0
  Ca  Ca2  8  0.0000  0.0000  0.6902  1.0
]