data_[Mg2Cu2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.1240]
_cell_length_b [3.7131]
_cell_length_c [14.0551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgCuCl4]
_chemical_formula_sum '[Mg2 Cu2 Cl8]'
_cell_volume [290.7260]
_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
[
  Mg  Mg0  2  0.5000  0.0000  0.5000  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  4  0.2165  0.0037  0.8955  1
  Cl  Cl3  4  0.2752  0.5871  0.1096  1
]