data_[Ce2Be10Fe14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4640]
_cell_length_b [7.9036]
_cell_length_c [8.0980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CeBe5Fe7]
_chemical_formula_sum '[Ce2 Be10 Fe14]'
_cell_volume [285.7162]
_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  2  0.0000  0.0000  0.0016  1
  Be  Be1  8  0.2497  0.2455  0.7516  1
  Be  Be2  2  0.0000  0.5000  0.2605  1
  Fe  Fe3  4  0.0000  0.2817  0.5020  1
  Fe  Fe4  4  0.0000  0.3546  0.9998  1
  Fe  Fe5  2  0.0000  0.0000  0.3575  1
  Fe  Fe6  2  0.0000  0.0000  0.6397  1
  Fe  Fe7  2  0.0000  0.5000  0.7309  1
]