data_[Rb2As2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.8579]
_cell_length_b [3.7078]
_cell_length_c [5.4142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbAsS2]
_chemical_formula_sum '[Rb2 As2 S4]'
_cell_volume [256.4131]
_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  0.4535  0.5000  0.5315  1.0
  As  As1  2  0.2312  0.0000  0.9426  1.0
  S  S2  2  0.1937  0.5000  0.6506  1.0
  S  S3  2  0.3996  0.0000  0.0134  1.0
]