data_[Cs2Zr2Al2S8]
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
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3478]
_cell_length_b [6.8442]
_cell_length_c [8.8944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrAlS4]
_chemical_formula_sum '[Cs2 Zr2 Al2 S8]'
_cell_volume [384.4505]
_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  0.2844  0.2500  0.9378  1.0
  Zr  Zr1  2  0.3249  0.7500  0.5415  1.0
  Al  Al2  2  0.1478  0.2500  0.3553  1.0
  S  S3  4  0.3891  0.0062  0.3253  1.0
  S  S4  2  0.0479  0.2500  0.5859  1.0
  S  S5  2  0.1545  0.7500  0.7952  1.0
]