data_[Rb2Zr2B2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9002]
_cell_length_b [6.3389]
_cell_length_c [8.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZrBS4]
_chemical_formula_sum '[Rb2 Zr2 B2 S8]'
_cell_volume [316.8205]
_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  0.2160  0.2500  0.9382  1.0
  Zr  Zr1  2  0.3218  0.7500  0.5483  1.0
  B  B2  2  0.1265  0.2500  0.3428  1.0
  S  S3  4  0.3074  0.0083  0.3078  1.0
  S  S4  2  0.1367  0.2500  0.5591  1.0
  S  S5  2  0.1994  0.7500  0.7970  1.0
]