data_[Cs2Cu2Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.9402]
_cell_length_b [4.9402]
_cell_length_c [11.9575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CsCuSn3]
_chemical_formula_sum '[Cs2 Cu2 Sn6]'
_cell_volume [291.8256]
_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  0.0000  0.0000  0.3978  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0361  1.0
  Sn  Sn2  4  0.0000  0.5000  0.1381  1.0
  Sn  Sn3  2  0.0000  0.0000  0.7966  1.0
]