data_[Rb2B2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7266]
_cell_length_b [7.1396]
_cell_length_c [8.8965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbBAsS4]
_chemical_formula_sum '[Rb2 B2 As2 S8]'
_cell_volume [348.3799]
_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
[
  Rb  Rb0  2  0.3027  0.2500  0.1000  1
  B  B1  2  0.1465  0.7500  0.3206  1
  As  As2  2  0.3196  0.2500  0.6347  1
  S  S3  4  0.0684  0.0335  0.7150  1
  S  S4  2  0.3278  0.7500  0.1653  1
  S  S5  2  0.3886  0.7500  0.5207  1
]