data_[Rb2Cu2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0029]
_cell_length_b [6.5650]
_cell_length_c [9.0147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCuPS4]
_chemical_formula_sum '[Rb2 Cu2 P2 S8]'
_cell_volume [340.1607]
_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  0.2592  0.2500  0.8965  1.0
  Cu  Cu1  2  0.3749  0.7500  0.5124  1.0
  P  P2  2  0.1239  0.2500  0.3049  1.0
  S  S3  4  0.3668  0.0140  0.3165  1.0
  S  S4  2  0.0180  0.2500  0.4999  1.0
  S  S5  2  0.1312  0.7500  0.8955  1.0
]