data_[Na4Mn4Cu4Cl20]
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 [8.0478]
_cell_length_b [10.1776]
_cell_length_c [10.4897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMnCuCl5]
_chemical_formula_sum '[Na4 Mn4 Cu4 Cl20]'
_cell_volume [843.1990]
_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  0.2500  0.2500  0.0000  1.0
  Mn  Mn1  4  0.0000  0.1034  0.2500  1.0
  Cu  Cu2  4  0.0000  0.4361  0.2500  1.0
  Cl  Cl3  8  0.0478  0.2761  0.4134  1.0
  Cl  Cl4  8  0.2134  0.4086  0.7759  1.0
  Cl  Cl5  4  0.0000  0.1170  0.7500  1.0
]