data_[Rb2Ca2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  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 [6.6897]
_cell_length_b [6.8563]
_cell_length_c [9.0777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaAsS4]
_chemical_formula_sum '[Rb2 Ca2 As2 S8]'
_cell_volume [397.8054]
_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  0.2613  0.2500  0.0636  1.0
  Ca  Ca1  2  0.2321  0.2500  0.5506  1.0
  As  As2  2  0.2171  0.7500  0.3287  1.0
  S  S3  4  0.0039  0.0007  0.2896  1.0
  S  S4  2  0.4126  0.7500  0.1743  1.0
  S  S5  2  0.4139  0.7500  0.5674  1.0
]