data_[Ce2Be2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [6.2638]
_cell_length_b [7.1824]
_cell_length_c [18.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [CeBeTe3]
_chemical_formula_sum '[Ce2 Be2 Te6]'
_cell_volume [830.7206]
_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  0.5461  1
  Be  Be1  2  0.0000  0.5000  0.4855  1
  Te  Te2  4  0.2500  0.2500  0.4269  1
  Te  Te3  2  0.0000  0.5000  0.6146  1
]