data_[Mg4Cu4Cl14]
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 [C2/m]
_cell_length_a [6.6344]
_cell_length_b [11.3206]
_cell_length_c [8.7286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Cu2Cl7]
_chemical_formula_sum '[Mg4 Cu4 Cl14]'
_cell_volume [646.7362]
_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  4  0.0000  0.3302  0.5000  1.0
  Cu  Cu1  4  0.2179  0.0000  0.2190  1.0
  Cl  Cl2  8  0.1603  0.1822  0.3342  1.0
  Cl  Cl3  4  0.0654  0.5000  0.3198  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]