data_[Be8Cr4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3709]
_cell_length_b [4.3709]
_cell_length_c [12.5123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Be4Cr2Sn]
_chemical_formula_sum '[Be8 Cr4 Sn2]'
_cell_volume [239.0460]
_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  4  0.0000  0.0000  0.2013  1
  Be  Be1  4  0.0000  0.5000  0.0000  1
  Cr  Cr2  4  0.0000  0.0000  0.3884  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
]