data_[Ba2Mg2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9802]
_cell_length_b [10.6513]
_cell_length_c [6.7148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaMgCuCl6]
_chemical_formula_sum '[Ba2 Mg2 Cu2 Cl12]'
_cell_volume [496.2992]
_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  0.0179  0.5000  1.0
  Mg  Mg1  2  0.0000  0.6769  0.0000  1.0
  Cu  Cu2  2  0.0000  0.3306  0.0000  1.0
  Cl  Cl3  4  0.1125  0.4898  0.2170  1.0
  Cl  Cl4  4  0.1747  0.8073  0.2581  1.0
  Cl  Cl5  4  0.1853  0.1826  0.1783  1.0
]