data_[Cs4Mn2Cu4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5080]
_cell_length_b [7.7237]
_cell_length_c [8.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Mn(CuBr3)2]
_chemical_formula_sum '[Cs4 Mn2 Cu4 Br12]'
_cell_volume [729.5388]
_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
[
  Cs  Cs0  4  0.2293  0.5000  0.2040  1.0
  Mn  Mn1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0809  0.0000  0.2629  1.0
  Br  Br3  8  0.0141  0.2626  0.7540  1.0
  Br  Br4  4  0.2352  0.5000  0.7063  1.0
]