data_[Cs4Cu4Si8]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.4684]
_cell_length_b [4.0058]
_cell_length_c [7.0277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsCuSi2]
_chemical_formula_sum '[Cs4 Cu4 Si8]'
_cell_volume [402.6065]
_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  2  0.2422  0.5000  0.5480  1
  Cs  Cs1  2  0.2509  0.0000  0.0555  1
  Cu  Cu2  2  0.0007  0.0000  0.6500  1
  Si  Si3  2  0.0510  0.5000  0.1644  1
  Si  Si4  2  0.0534  0.5000  0.8170  1
  Si  Si5  2  0.4496  0.0000  0.4592  1
  Si  Si6  2  0.4522  0.5000  0.9564  1
  Cu  Cu7  2  0.4944  0.5000  0.2945  1
]