data_[Ce4Ta8Be4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2231]
_cell_length_b [10.6770]
_cell_length_c [10.7854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeTa2BeC4]
_chemical_formula_sum '[Ce4 Ta8 Be4 C16]'
_cell_volume [371.1626]
_cell_formula_units_Z [4]
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  0.1044  0.7500  1.0
  Ta  Ta1  8  0.0000  0.3668  0.5528  1.0
  Be  Be2  4  0.0000  0.1624  0.2500  1.0
  C  C3  8  0.0000  0.2658  0.1178  1.0
  C  C4  4  0.0000  0.0000  0.0000  1.0
  C  C5  4  0.0000  0.4278  0.7500  1.0
]