data_[Ce4Ga4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8863]
_cell_length_b [10.6072]
_cell_length_c [6.2015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Ga2S7]
_chemical_formula_sum '[Ce4 Ga4 S14]'
_cell_volume [573.9279]
_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  4  0.0000  0.2947  0.0000  1
  Ga  Ga1  4  0.2344  0.0000  0.4178  1
  S  S2  8  0.2385  0.3184  0.7674  1
  S  S3  4  0.0954  0.5000  0.2512  1
  S  S4  2  0.0000  0.0000  0.5000  1
]