data_[Na4Mn8Cu4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/c]
_cell_length_a [13.0423]
_cell_length_b [12.5623]
_cell_length_c [7.0685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMn2CuCl6]
_chemical_formula_sum '[Na4 Mn8 Cu4 Cl24]'
_cell_volume [1078.8166]
_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
[
  Na  Na0  4  0.0000  0.1058  0.2500  1.0
  Mn  Mn1  8  0.1834  0.4161  0.2045  1.0
  Cu  Cu2  4  0.0000  0.2041  0.7500  1.0
  Cl  Cl3  8  0.1130  0.2487  0.0676  1.0
  Cl  Cl4  8  0.1215  0.0760  0.6631  1.0
  Cl  Cl5  8  0.1281  0.4312  0.4927  1.0
]