data_[Mn2Cu2Cl6]
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 [Cm]
_cell_length_a [6.5355]
_cell_length_b [11.0789]
_cell_length_c [16.6259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnCuCl3]
_chemical_formula_sum '[Mn2 Cu2 Cl6]'
_cell_volume [1203.8082]
_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
[
  Mn  Mn0  2  0.2180  0.5000  0.4932  1
  Cu  Cu1  2  0.3015  0.0000  0.5003  1
  Cl  Cl2  4  0.0033  0.3386  0.4696  1
  Cl  Cl3  2  0.0119  0.0000  0.5674  1
]