data_[Mn4Cu12Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cc]
_cell_length_a [16.7908]
_cell_length_b [8.7160]
_cell_length_c [11.7768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Mn(CuCl3)3]
_chemical_formula_sum '[Mn4 Cu12 Cl36]'
_cell_volume [1369.0794]
_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
[
  Mn  Mn0  4  0.2479  0.2223  0.4952  1
  Cu  Cu1  4  0.0138  0.4546  0.7677  1
  Cu  Cu2  4  0.1158  0.1214  0.6632  1
  Cu  Cu3  4  0.3768  0.4234  0.3229  1
  Cl  Cl4  4  0.1056  0.3531  0.4317  1
  Cl  Cl5  4  0.1254  0.3586  0.7450  1
  Cl  Cl6  4  0.1400  0.0300  0.3444  1
  Cl  Cl7  4  0.2444  0.3184  0.3087  1
  Cl  Cl8  4  0.2568  0.1044  0.6808  1
  Cl  Cl9  4  0.3452  0.4300  0.6377  1
  Cl  Cl10  4  0.3863  0.0768  0.5645  1
  Cl  Cl11  4  0.4515  0.3974  0.9959  1
  Cl  Cl12  4  0.4731  0.2192  0.3644  1
]