data_[Ca10Sn2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.9865]
_cell_length_b [6.9865]
_cell_length_c [7.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ca5SnO8]
_chemical_formula_sum '[Ca10 Sn2 O16]'
_cell_volume [356.1796]
_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
[
  Ca  Ca0  8  0.1201  0.7547  0.8716  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Sn  Sn2  2  0.0000  0.5000  0.2500  1
  O  O3  8  0.0624  0.6586  0.5531  1
  O  O4  8  0.0656  0.7944  0.2029  1
]