data_[La2Be2Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4684]
_cell_length_b [5.4681]
_cell_length_c [7.8528]
_cell_angle_alpha [88.4745]
_cell_angle_beta [78.7903]
_cell_angle_gamma [85.1530]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaBePt3]
_chemical_formula_sum '[La2 Be2 Pt6]'
_cell_volume [187.5268]
_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
[
  La  La0  1  0.5860  0.9177  0.3649  1.0
  La  La1  1  0.8808  0.6359  0.8086  1.0
  Be  Be2  1  0.2173  0.3317  0.1138  1.0
  Be  Be3  1  0.9402  0.1107  0.9774  1.0
  Pt  Pt4  1  0.0447  0.1395  0.6654  1.0
  Pt  Pt5  1  0.1059  0.4915  0.3888  1.0
  Pt  Pt6  1  0.1986  0.7814  0.0976  1.0
  Pt  Pt7  1  0.4692  0.1309  0.8756  1.0
  Pt  Pt8  1  0.5541  0.3872  0.5638  1.0
  Pt  Pt9  1  0.6913  0.4111  0.1689  1.0
]