data_[Cs2Cu2Si4]
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 [Pmma]
_cell_length_a [5.8195]
_cell_length_b [3.8507]
_cell_length_c [8.8759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CsCuSi2]
_chemical_formula_sum '[Cs2 Cu2 Si4]'
_cell_volume [198.9031]
_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  2  0.2500  0.5000  0.3496  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Si  Si2  2  0.2500  0.0000  0.7732  1
  Si  Si3  2  0.2500  0.5000  0.9402  1
]