data_[Rb8Mn4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9978]
_cell_length_b [19.2821]
_cell_length_c [13.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2MnCuCl5]
_chemical_formula_sum '[Rb8 Mn4 Cu4 Cl20]'
_cell_volume [1013.6407]
_cell_formula_units_Z [4]
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  4  0.0000  0.1208  0.6961  1.0
  Rb  Rb1  4  0.0000  0.1263  0.3111  1.0
  Mn  Mn2  4  0.0000  0.2094  0.0158  1.0
  Cu  Cu3  4  0.0000  0.4370  0.4431  1.0
  Cl  Cl4  4  0.0000  0.0772  0.0301  1.0
  Cl  Cl5  4  0.0000  0.2903  0.6442  1.0
  Cl  Cl6  4  0.0000  0.3016  0.3835  1.0
  Cl  Cl7  4  0.0000  0.3356  0.0053  1.0
  Cl  Cl8  4  0.0000  0.4940  0.2947  1.0
]