data_[Cs2Zr2Ga2S8]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3549]
_cell_length_b [6.8777]
_cell_length_c [8.8919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrGaS4]
_chemical_formula_sum '[Cs2 Zr2 Ga2 S8]'
_cell_volume [386.8055]
_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  0.2800  0.2500  0.9397  1.0
  Zr  Zr1  2  0.3270  0.7500  0.5416  1.0
  Ga  Ga2  2  0.1489  0.2500  0.3540  1.0
  S  S3  4  0.3943  0.0029  0.3240  1.0
  S  S4  2  0.0436  0.2500  0.5869  1.0
  S  S5  2  0.1568  0.7500  0.7972  1.0
]