data_[Ca4Sn8P8O36]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.6306]
_cell_length_b [6.7282]
_cell_length_c [8.1815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaSn2P2O9]
_chemical_formula_sum '[Ca4 Sn8 P8 O36]'
_cell_volume [860.4111]
_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
[
  Ca  Ca0  4  0.2224  0.7500  0.9548  1
  Sn  Sn1  4  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.1157  0.7500  0.3640  1
  P  P3  4  0.0656  0.2500  0.3883  1
  P  P4  4  0.2053  0.2500  0.8925  1
  O  O5  8  0.1289  0.0689  0.4008  1
  O  O6  8  0.1529  0.0573  0.9087  1
  O  O7  4  0.0051  0.2500  0.5384  1
  O  O8  4  0.0148  0.2500  0.2277  1
  O  O9  4  0.0782  0.7500  0.1339  1
  O  O10  4  0.2191  0.7500  0.5245  1
  O  O11  4  0.2430  0.7500  0.2288  1
]