data_[Cs4Cu1Si2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6181]
_cell_length_b [7.5684]
_cell_length_c [7.6213]
_cell_angle_alpha [106.3679]
_cell_angle_beta [110.5043]
_cell_angle_gamma [109.2994]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs4CuSi2O7]
_chemical_formula_sum '[Cs4 Cu1 Si2 O7]'
_cell_volume [301.4070]
_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
[
  Cs  Cs0  2  0.2878  0.7644  0.2261  1.0
  Cs  Cs1  2  0.3948  0.6299  0.7248  1.0
  Si  Si2  2  0.0089  0.1354  0.2215  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  O  O4  2  0.0368  0.3596  0.2338  1.0
  O  O5  2  0.2296  0.0086  0.7623  1.0
  O  O6  2  0.2374  0.1533  0.4236  1.0
  O  O7  1  0.0000  0.0000  0.0000  1.0
]