data_[Gd6Cu2Si2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.4231]
_cell_length_b [10.4231]
_cell_length_c [6.0264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Gd3CuSiSe7]
_chemical_formula_sum '[Gd6 Cu2 Si2 Se14]'
_cell_volume [567.0005]
_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
[
  Gd  Gd0  6  0.1292  0.3552  0.2542  1
  Cu  Cu1  2  0.0000  0.0000  0.2963  1
  Si  Si2  2  0.3333  0.6667  0.6644  1
  Se  Se3  6  0.0956  0.2599  0.7792  1
  Se  Se4  6  0.1019  0.5817  0.5103  1
  Se  Se5  2  0.3333  0.6667  0.0410  1
]