data_[Cs2Y2As4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.3141]
_cell_length_b [10.4149]
_cell_length_c [6.9992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsYAs2S7]
_chemical_formula_sum '[Cs2 Y2 As4 S14]'
_cell_volume [669.0809]
_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  0.0000  0.8989  0.0000  1
  Y  Y1  2  0.0000  0.4907  0.5000  1
  As  As2  4  0.1954  0.1395  0.5939  1
  S  S3  4  0.1291  0.3022  0.7515  1
  S  S4  4  0.1619  0.5167  0.2072  1
  S  S5  4  0.2058  0.6690  0.6609  1
  S  S6  2  0.0000  0.0051  0.5000  1
]