data_[Cs3Sr1B2S6]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.2146]
_cell_length_b [7.2146]
_cell_length_c [9.2961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Sr(BS3)2]
_chemical_formula_sum '[Cs3 Sr1 B2 S6]'
_cell_volume [419.0470]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3239  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Sr  Sr2  1  0.0000  0.0000  0.5000  1.0
  B  B3  2  0.3333  0.6667  0.7021  1.0
  S  S4  6  0.1877  0.3754  0.7042  1.0
]