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 [P2_1/m]
_cell_length_a [6.5140]
_cell_length_b [3.7663]
_cell_length_c [9.4715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnCuCl3]
_chemical_formula_sum '[Mn2 Cu2 Cl6]'
_cell_volume [232.1577]
_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  0.0807  0.2500  0.1660  1
  Cu  Cu1  2  0.4112  0.2500  0.6828  1
  Cl  Cl2  2  0.0707  0.2500  0.6902  1
  Cl  Cl3  2  0.2247  0.7500  0.0144  1
  Cl  Cl4  2  0.3997  0.2500  0.3278  1
]