data_[Be2Cd6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.7505]
_cell_length_b [5.9158]
_cell_length_c [5.5067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BeCd3O4]
_chemical_formula_sum '[Be2 Cd6 O8]'
_cell_volume [219.9079]
_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
[
  Be  Be0  2  0.0000  0.1771  0.0005  1.0
  Cd  Cd1  4  0.2454  0.6741  0.0028  1.0
  Cd  Cd2  2  0.0000  0.8533  0.5063  1.0
  O  O3  4  0.2071  0.3111  0.0997  1.0
  O  O4  2  0.0000  0.1821  0.7004  1.0
  O  O5  2  0.0000  0.9095  0.1030  1.0
]