data_[Ce6Cu2Sn2S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.3519]
_cell_length_b [10.3519]
_cell_length_c [6.0609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Ce3CuSnS7]
_chemical_formula_sum '[Ce6 Cu2 Sn2 S14]'
_cell_volume [562.4736]
_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  0.1302  0.3561  0.2550  1
  Cu  Cu1  2  0.0000  0.0000  0.2880  1
  Sn  Sn2  2  0.3333  0.6667  0.6801  1
  S  S3  6  0.0915  0.5777  0.5100  1
  S  S4  6  0.0932  0.2513  0.7785  1
  S  S5  2  0.3333  0.6667  0.0703  1
]