data_[Ce6Cu2Sn2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.7788]
_cell_length_b [10.7788]
_cell_length_c [6.3684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Ce3CuSnSe7]
_chemical_formula_sum '[Ce6 Cu2 Sn2 Se14]'
_cell_volume [640.7622]
_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
[
  Ce  Ce0  6  0.1356  0.7802  0.9529  1
  Cu  Cu1  2  0.0000  0.0000  0.4960  1
  Sn  Sn2  2  0.3333  0.6667  0.3745  1
  Se  Se3  6  0.0861  0.5138  0.2040  1
  Se  Se4  6  0.0990  0.8438  0.4809  1
  Se  Se5  2  0.3333  0.6667  0.7712  1
]