data_[Be4Cd4Pt12]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2677]
_cell_length_b [12.4693]
_cell_length_c [2.9062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BeCdPt3]
_chemical_formula_sum '[Be4 Cd4 Pt12]'
_cell_volume [299.6072]
_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
[
  Be  Be0  4  0.2217  0.5000  0.5000  1.0
  Cd  Cd1  4  0.0000  0.2929  0.5000  1.0
  Pt  Pt2  8  0.2030  0.1408  0.0000  1.0
  Pt  Pt3  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
]