data_[Ce12Ge2As4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3937]
_cell_length_b [4.2287]
_cell_length_c [8.4313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6GeAs2Se3]
_chemical_formula_sum '[Ce12 Ge2 As4 Se6]'
_cell_volume [638.7721]
_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  0.0011  0.0000  0.2477  1
  Ce  Ce1  4  0.1656  0.5000  0.0860  1
  Ce  Ce2  4  0.1677  0.5000  0.5804  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.1669  0.0000  0.3336  1
  Se  Se5  4  0.1667  0.0000  0.8331  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]