data_[Ba2Na4Be4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8875]
_cell_length_b [3.7970]
_cell_length_c [8.5548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNa2(BeS2)2]
_chemical_formula_sum '[Ba2 Na4 Be4 S8]'
_cell_volume [421.2125]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Na  Na1  4  0.1091  0.0000  0.6284  1.0
  Be  Be2  4  0.1727  0.5000  0.3949  1.0
  S  S3  4  0.0167  0.5000  0.2992  1.0
  S  S4  4  0.2290  0.0000  0.3211  1.0
]