data_[Rb8Mg4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  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 [3.9620]
_cell_length_b [19.3787]
_cell_length_c [13.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2MgCuCl5]
_chemical_formula_sum '[Rb8 Mg4 Cu4 Cl20]'
_cell_volume [1010.6544]
_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  0.1215  0.6965  1.0
  Rb  Rb1  4  0.0000  0.1266  0.3126  1.0
  Mg  Mg2  4  0.0000  0.2090  0.0155  1.0
  Cu  Cu3  4  0.0000  0.4407  0.4428  1.0
  Cl  Cl4  4  0.0000  0.0777  0.0292  1.0
  Cl  Cl5  4  0.0000  0.2909  0.6434  1.0
  Cl  Cl6  4  0.0000  0.3010  0.3850  1.0
  Cl  Cl7  4  0.0000  0.3347  0.0060  1.0
  Cl  Cl8  4  0.0000  0.4945  0.2930  1.0
]