data_[Rb4Mn2Cu2I12]
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 [Cm]
_cell_length_a [13.2645]
_cell_length_b [8.0196]
_cell_length_c [9.3572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb2MnCuI6]
_chemical_formula_sum '[Rb4 Mn2 Cu2 I12]'
_cell_volume [840.0574]
_cell_formula_units_Z [2]
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  2  0.2326  0.5000  0.2401  1.0
  Rb  Rb1  2  0.2658  0.0000  0.7357  1.0
  Mn  Mn2  2  0.4589  0.5000  0.9464  1.0
  Cu  Cu3  2  0.0196  0.5000  0.6287  1.0
  I  I4  4  0.0538  0.2324  0.8326  1.0
  I  I5  4  0.4450  0.2644  0.1358  1.0
  I  I6  2  0.2206  0.5000  0.6471  1.0
  I  I7  2  0.3080  0.0000  0.3743  1.0
]