data_[Cs2Sm2Be2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5377]
_cell_length_b [3.9802]
_cell_length_c [9.6721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSmBeS3]
_chemical_formula_sum '[Cs2 Sm2 Be2 S6]'
_cell_volume [341.9800]
_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  0.2398  0.2500  0.2062  1.0
  Sm  Sm1  2  0.1509  0.2500  0.6673  1.0
  Be  Be2  2  0.3942  0.7500  0.9271  1.0
  S  S3  2  0.1597  0.7500  0.4697  1.0
  S  S4  2  0.1647  0.7500  0.8757  1.0
  S  S5  2  0.4663  0.2500  0.8476  1.0
]