data_[Ce4Ti8Be4P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6790]
_cell_length_b [12.0385]
_cell_length_c [12.3033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeTi2BeP4]
_chemical_formula_sum '[Ce4 Ti8 Be4 P16]'
_cell_volume [544.9170]
_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  0.1205  0.7500  1
  Ti  Ti1  8  0.0000  0.3725  0.5557  1
  Be  Be2  4  0.0000  0.1497  0.2500  1
  P  P3  8  0.0000  0.2633  0.1146  1
  P  P4  4  0.0000  0.0000  0.0000  1
  P  P5  4  0.0000  0.4431  0.7500  1
]