data_[Ce3Be51Tc3]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5254]
_cell_length_b [7.5254]
_cell_length_c [10.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeBe17Tc]
_chemical_formula_sum '[Ce3 Be51 Tc3]'
_cell_volume [538.5682]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3396  1
  Be  Be1  18  0.0479  0.3739  0.6667  1
  Be  Be2  9  0.1668  0.3337  0.8327  1
  Be  Be3  9  0.1709  0.8291  0.1777  1
  Be  Be4  9  0.1730  0.3460  0.4886  1
  Be  Be5  3  0.0000  0.0000  0.0905  1
  Be  Be6  3  0.0000  0.0000  0.8990  1
  Tc  Tc7  3  0.0000  0.0000  0.6739  1
]