data_[Na4Be2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2154]
_cell_length_b [8.0180]
_cell_length_c [6.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na2BePS4]
_chemical_formula_sum '[Na4 Be2 P2 S8]'
_cell_volume [318.3776]
_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
[
  Na  Na0  2  0.0000  0.1917  0.5000  1
  Na  Na1  2  0.0000  0.4389  0.0000  1
  Be  Be2  2  0.0000  0.9966  0.0000  1
  P  P3  2  0.0000  0.7272  0.5000  1
  S  S4  4  0.1603  0.8808  0.4054  1
  S  S5  4  0.2399  0.1363  0.0614  1
]