data_[Be2Fe2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3868]
_cell_length_b [4.4162]
_cell_length_c [4.5469]
_cell_angle_alpha [73.4453]
_cell_angle_beta [75.4889]
_cell_angle_gamma [60.9105]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeFePt]
_chemical_formula_sum '[Be2 Fe2 Pt2]'
_cell_volume [73.1226]
_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  1  0.3568  0.3541  0.4847  1
  Be  Be1  1  0.6854  0.7005  0.4307  1
  Fe  Fe2  1  0.1255  0.5358  0.0194  1
  Fe  Fe3  1  0.7735  0.2359  0.9696  1
  Pt  Pt4  1  0.0374  0.9897  0.4684  1
  Pt  Pt5  1  0.4708  0.8990  0.9043  1
]