data_[Y2Be2Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4018]
_cell_length_b [5.7536]
_cell_length_c [5.9330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YBePt3]
_chemical_formula_sum '[Y2 Be2 Pt6]'
_cell_volume [166.4851]
_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
[
  Y  Y0  2  0.0206  0.2500  0.2958  1.0
  Be  Be1  2  0.3406  0.7500  0.4535  1.0
  Pt  Pt2  4  0.4815  0.5055  0.2280  1.0
  Pt  Pt3  2  0.0885  0.2500  0.8251  1.0
]