data_[Ca2Ti1Si2Sn1O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5641]
_cell_length_b [5.5700]
_cell_length_c [7.2228]
_cell_angle_alpha [104.0840]
_cell_angle_beta [104.2301]
_cell_angle_gamma [105.6634]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2TiSi2SnO10]
_chemical_formula_sum '[Ca2 Ti1 Si2 Sn1 O10]'
_cell_volume [197.0842]
_cell_formula_units_Z [1]
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  2  0.1728  0.8380  0.7553  1.0
  Ti  Ti1  1  0.5000  0.5000  0.0000  1.0
  Si  Si2  2  0.1761  0.8145  0.2465  1.0
  Sn  Sn3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.1214  0.2514  0.9128  1.0
  O  O5  2  0.1735  0.6072  0.3767  1.0
  O  O6  2  0.2378  0.1092  0.4066  1.0
  O  O7  2  0.3896  0.8106  0.1217  1.0
  O  O8  2  0.4227  0.5783  0.7591  1.0
]