data_[Cs2Zr2Be2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4340]
_cell_length_b [5.4606]
_cell_length_c [9.6457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrBeS4]
_chemical_formula_sum '[Cs2 Zr2 Be2 S8]'
_cell_volume [328.4909]
_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
[
  Cs  Cs0  2  0.2393  0.2500  0.0393  1
  Zr  Zr1  2  0.2565  0.2500  0.5531  1
  Be  Be2  2  0.2678  0.7500  0.3485  1
  S  S3  4  0.0075  0.0054  0.3218  1
  S  S4  2  0.4195  0.7500  0.5643  1
  S  S5  2  0.4619  0.7500  0.2112  1
]