data_[Rb1Zr2Cu2S6]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9812]
_cell_length_b [7.0907]
_cell_length_c [7.4067]
_cell_angle_alpha [115.5213]
_cell_angle_beta [93.1928]
_cell_angle_gamma [117.9152]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbZr2(CuS3)2]
_chemical_formula_sum '[Rb1 Zr2 Cu2 S6]'
_cell_volume [276.7205]
_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  0.0000  0.5000  1
  Zr  Zr1  2  0.1543  0.3351  0.4898  1
  Cu  Cu2  2  0.0621  0.2762  0.0622  1
  S  S3  2  0.0128  0.1438  0.7271  1
  S  S4  2  0.1783  0.7367  0.7514  1
  S  S5  2  0.4048  0.4310  0.2724  1
]