data_[Be4Zn4In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1389]
_cell_length_b [4.4989]
_cell_length_c [11.1385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BeZnIn]
_chemical_formula_sum '[Be4 Zn4 In4]'
_cell_volume [207.4010]
_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  0.0000  0.0000  0.1790  1
  Be  Be1  2  0.0000  0.0000  0.9617  1
  Zn  Zn2  2  0.0000  0.5000  0.3340  1
  Zn  Zn3  2  0.0000  0.5000  0.5655  1
  In  In4  2  0.0000  0.5000  0.0831  1
  In  In5  2  0.0000  0.5000  0.8179  1
]