data_[Ce12Ge4As8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3400]
_cell_length_b [12.7063]
_cell_length_c [7.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce3GeAs2]
_chemical_formula_sum '[Ce12 Ge4 As8]'
_cell_volume [644.9207]
_cell_formula_units_Z [4]
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  8  0.2487  0.0838  0.5006  1.0
  Ce  Ce1  4  0.2500  0.2500  0.0000  1.0
  Ge  Ge2  4  0.0000  0.4161  0.7500  1.0
  As  As3  4  0.0000  0.0832  0.7500  1.0
  As  As4  4  0.0000  0.2496  0.2500  1.0
]