data_[Be2Cd2Pt6]
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 [Pmma]
_cell_length_a [7.6491]
_cell_length_b [2.8713]
_cell_length_c [6.7983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [BeCdPt3]
_chemical_formula_sum '[Be2 Cd2 Pt6]'
_cell_volume [149.3113]
_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  0.5000  0.5000  1
  Cd  Cd1  2  0.2500  0.5000  0.0803  1
  Pt  Pt2  4  0.0592  0.0000  0.7864  1
  Pt  Pt3  2  0.2500  0.0000  0.4461  1
]