data_[Cs4Y12O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2971]
_cell_length_b [3.4888]
_cell_length_c [17.3477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsY3O5]
_chemical_formula_sum '[Cs4 Y12 O20]'
_cell_volume [623.2098]
_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
[
  Cs  Cs0  4  0.0314  0.2500  0.8785  1
  Y  Y1  4  0.1050  0.2500  0.3409  1
  Y  Y2  4  0.1542  0.7500  0.5142  1
  Y  Y3  4  0.1886  0.2500  0.6866  1
  O  O4  4  0.0221  0.2500  0.5797  1
  O  O5  4  0.0702  0.7500  0.7301  1
  O  O6  4  0.1918  0.7500  0.2890  1
  O  O7  4  0.2234  0.2500  0.1164  1
  O  O8  4  0.2284  0.2500  0.4504  1
]