data_[Cs6Si2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.5013]
_cell_length_b [8.8476]
_cell_length_c [6.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3SiO4]
_chemical_formula_sum '[Cs6 Si2 O8]'
_cell_volume [390.9470]
_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
[
  Cs  Cs0  4  0.0000  0.2403  0.5477  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0566  1.0
  Si  Si2  2  0.0000  0.5000  0.9995  1.0
  O  O3  4  0.0000  0.3466  0.1395  1.0
  O  O4  4  0.2078  0.5000  0.8603  1.0
]