data_[Cs2Zr2B2S8]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8873]
_cell_length_b [6.4252]
_cell_length_c [9.1989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrBS4]
_chemical_formula_sum '[Cs2 Zr2 B2 S8]'
_cell_volume [333.2024]
_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  0.2206  0.2500  0.9381  1.0
  Zr  Zr1  2  0.3207  0.7500  0.5445  1.0
  B  B2  2  0.1355  0.2500  0.3493  1.0
  S  S3  4  0.3193  0.0101  0.3154  1.0
  S  S4  2  0.1309  0.2500  0.5569  1.0
  S  S5  2  0.1820  0.7500  0.7839  1.0
]