data_[Cs4Sr2As4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3390]
_cell_length_b [7.6692]
_cell_length_c [9.0111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sr(AsSe3)2]
_chemical_formula_sum '[Cs4 Sr2 As4 Se12]'
_cell_volume [797.3138]
_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  4  0.2156  0.5000  0.2229  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  As  As2  4  0.0312  0.0000  0.1643  1
  Se  Se3  8  0.0554  0.2534  0.8094  1
  Se  Se4  4  0.2327  0.0000  0.3233  1
]