data_[Ca4Y2Sn2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9722]
_cell_length_b [6.0410]
_cell_length_c [8.7216]
_cell_angle_alpha [70.2144]
_cell_angle_beta [71.2206]
_cell_angle_gamma [89.3600]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2YSnO5]
_chemical_formula_sum '[Ca4 Y2 Sn2 O10]'
_cell_volume [278.6254]
_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  1  0.1368  0.6817  0.7528  1
  Ca  Ca1  1  0.3622  0.9109  0.2390  1
  Ca  Ca2  1  0.6280  0.1813  0.7473  1
  Ca  Ca3  1  0.8730  0.4487  0.2456  1
  Y  Y4  1  0.2771  0.3609  0.4560  1
  Y  Y5  1  0.7202  0.8079  0.5342  1
  Sn  Sn6  1  0.0103  0.0336  0.9701  1
  Sn  Sn7  1  0.4937  0.4815  0.9988  1
  O  O8  1  0.0100  0.6509  0.3849  1
  O  O9  1  0.0207  0.0827  0.7039  1
  O  O10  1  0.2102  0.2634  0.2450  1
  O  O11  1  0.2759  0.3206  0.8929  1
  O  O12  1  0.4118  0.6753  0.5040  1
  O  O13  1  0.4177  0.8040  0.8487  1
  O  O14  1  0.5635  0.6132  0.1676  1
  O  O15  1  0.6120  0.1805  0.4864  1
  O  O16  1  0.6938  0.1869  0.0655  1
  O  O17  1  0.7765  0.5417  0.7610  1
]