data_[Zr6Be6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.6568]
_cell_length_b [3.5429]
_cell_length_c [6.5990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ZrBePt]
_chemical_formula_sum '[Zr6 Be6 Pt6]'
_cell_volume [272.5335]
_cell_formula_units_Z [6]
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
[
  Zr  Zr0  4  0.0399  0.0000  0.7596  1
  Zr  Zr1  2  0.2500  0.0000  0.1446  1
  Be  Be2  4  0.0917  0.5000  0.0500  1
  Be  Be3  2  0.2500  0.0000  0.5621  1
  Pt  Pt4  4  0.1260  0.5000  0.4198  1
  Pt  Pt5  2  0.2500  0.5000  0.8011  1
]