data_[Rb1Cu2P2S6]
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 [P-1]
_cell_length_a [6.3433]
_cell_length_b [6.8586]
_cell_length_c [8.0023]
_cell_angle_alpha [74.2122]
_cell_angle_beta [67.3637]
_cell_angle_gamma [64.0840]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCu2(PS3)2]
_chemical_formula_sum '[Rb1 Cu2 P2 S6]'
_cell_volume [286.7446]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.2114  0.2831  0.0866  1.0
  P  P2  2  0.1398  0.8544  0.0548  1.0
  S  S3  2  0.0483  0.3588  0.8483  1.0
  S  S4  2  0.1674  0.9580  0.2560  1.0
  S  S5  2  0.4495  0.7546  0.8438  1.0
]