data_[Ce6Mn4Si6]
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 [15.4813]
_cell_length_b [4.2834]
_cell_length_c [4.7313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Mn2Si3]
_chemical_formula_sum '[Ce6 Mn4 Si6]'
_cell_volume [305.8808]
_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  0.1639  0.0000  0.5713  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.2070  0.0000  0.0688  1.0
  Si  Si3  4  0.1416  0.5000  0.0342  1.0
  Si  Si4  2  0.0000  0.5000  0.5000  1.0
]