data_[Li1Be1Zn1Pt1I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2689]
_cell_length_b [4.2689]
_cell_length_c [6.7202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiBeZnPtI]
_chemical_formula_sum '[Li1 Be1 Zn1 Pt1 I1]'
_cell_volume [106.0572]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.0000  0.6173  1
  Be  Be1  1  0.3333  0.6667  0.1944  1
  Zn  Zn2  1  0.6667  0.3333  0.2775  1
  Pt  Pt3  1  0.0000  0.0000  0.2393  1
  I  I4  1  0.3333  0.6667  0.8071  1
]