data_[Ba2Mn2Cu4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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/m]
_cell_length_a [9.9640]
_cell_length_b [7.0329]
_cell_length_c [8.9245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMn(CuCl4)2]
_chemical_formula_sum '[Ba2 Mn2 Cu4 Cl16]'
_cell_volume [625.1168]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1425  0.5000  0.7854  1
  Cl  Cl3  8  0.0013  0.2365  0.1927  1
  Cl  Cl4  4  0.1875  0.5000  0.5413  1
  Cl  Cl5  4  0.2316  0.0000  0.0024  1
]