data_[Be4Zn4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9201]
_cell_length_b [3.8680]
_cell_length_c [5.5013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeZnSn]
_chemical_formula_sum '[Be4 Zn4 Sn4]'
_cell_volume [225.5996]
_cell_formula_units_Z [4]
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  2  0.0595  0.0000  0.7315  1
  Be  Be1  2  0.4668  0.0000  0.7836  1
  Zn  Zn2  2  0.2520  0.0000  0.7165  1
  Zn  Zn3  2  0.3484  0.5000  0.5818  1
  Sn  Sn4  2  0.0293  0.5000  0.3520  1
  Sn  Sn5  2  0.2024  0.5000  0.0398  1
]