data_[Ce8Mn4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3914]
_cell_length_b [4.2605]
_cell_length_c [9.7304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2MnSi2]
_chemical_formula_sum '[Ce8 Mn4 Si8]'
_cell_volume [384.1407]
_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  4  0.0911  0.5000  0.8872  1.0
  Ce  Ce1  4  0.1747  0.0000  0.6882  1.0
  Mn  Mn2  4  0.1584  0.0000  0.3901  1.0
  Si  Si3  4  0.0905  0.5000  0.4426  1.0
  Si  Si4  4  0.1157  0.0000  0.1227  1.0
]