data_[Rb2Cr10S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0642]
_cell_length_b [3.5111]
_cell_length_c [8.7728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCr5S8]
_chemical_formula_sum '[Rb2 Cr10 S16]'
_cell_volume [536.4506]
_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  0.0000  0.5000  0.5000  1.0
  Cr  Cr1  4  0.1587  0.5000  0.9744  1.0
  Cr  Cr2  4  0.2043  0.5000  0.3342  1.0
  Cr  Cr3  2  0.0000  0.0000  0.0000  1.0
  S  S4  4  0.0770  0.5000  0.1473  1.0
  S  S5  4  0.0859  0.0000  0.8310  1.0
  S  S6  4  0.1724  0.0000  0.4851  1.0
  S  S7  4  0.2384  0.0000  0.1559  1.0
]