data_[Ce4Ga5Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1717]
_cell_length_b [4.4446]
_cell_length_c [8.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Ga5Ge2]
_chemical_formula_sum '[Ce4 Ga5 Ge2]'
_cell_volume [256.9496]
_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  2  0.2199  0.5000  0.1359  1.0
  Ce  Ce1  2  0.2457  0.5000  0.6150  1.0
  Ga  Ga2  2  0.1263  0.0000  0.8841  1.0
  Ga  Ga3  2  0.4457  0.0000  0.3423  1.0
  Ga  Ga4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0876  0.0000  0.3680  1.0
]