data_[Ce4Mn3Ge16]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1155]
_cell_length_b [6.1155]
_cell_length_c [11.3188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce4Mn3Ge16]
_chemical_formula_sum '[Ce4 Mn3 Ge16]'
_cell_volume [423.3139]
_cell_formula_units_Z [1]
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  0.5000  0.1968  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  Mn  Mn2  1  0.0000  0.0000  0.0000  1
  Ge  Ge3  8  0.2509  0.2509  0.3859  1
  Ge  Ge4  4  0.2853  0.2853  0.0000  1
  Ge  Ge5  2  0.0000  0.0000  0.2262  1
  Ge  Ge6  2  0.5000  0.5000  0.2133  1
]