data_[La1Be2Te1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [4.9092]
_cell_length_b [4.9092]
_cell_length_c [6.8388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [LaBe2TeO8]
_chemical_formula_sum '[La1 Be2 Te1 O8]'
_cell_volume [142.7335]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.0000  0.0000  0.0000  1
  Be  Be1  2  0.3333  0.6667  0.7287  1
  Te  Te2  1  0.0000  0.0000  0.5000  1
  O  O3  6  0.0479  0.3245  0.6799  1
  O  O4  2  0.3333  0.6667  0.9729  1
]