data_[Rb4Mn4Cu4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8360]
_cell_length_b [12.8588]
_cell_length_c [10.5864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbMnCuI5]
_chemical_formula_sum '[Rb4 Mn4 Cu4 I20]'
_cell_volume [1238.6588]
_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  0.3525  0.7500  1.0
  Mn  Mn1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3076  0.2500  1.0
  I  I3  8  0.1033  0.1990  0.0979  1.0
  I  I4  8  0.2005  0.4230  0.4344  1.0
  I  I5  4  0.0000  0.0686  0.7500  1.0
]