data_[Mg1Cu6O2F10]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5575]
_cell_length_b [6.0163]
_cell_length_c [8.2067]
_cell_angle_alpha [94.8624]
_cell_angle_beta [109.6990]
_cell_angle_gamma [111.9989]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgCu6(OF5)2]
_chemical_formula_sum '[Mg1 Cu6 O2 F10]'
_cell_volume [232.4217]
_cell_formula_units_Z [1]
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  1  0.4815  0.8071  0.8357  1.0
  Cu  Cu1  1  0.0361  0.3913  0.3346  1.0
  Cu  Cu2  1  0.0750  0.0086  0.0289  1.0
  Cu  Cu3  1  0.4690  0.0029  0.4699  1.0
  Cu  Cu4  1  0.4938  0.3061  0.8094  1.0
  Cu  Cu5  1  0.5195  0.6756  0.1935  1.0
  Cu  Cu6  1  0.8471  0.5991  0.6056  1.0
  O  O7  1  0.3345  0.6794  0.3451  1.0
  O  O8  1  0.6360  0.3014  0.6343  1.0
  F  F9  1  0.2031  0.1764  0.2797  1.0
  F  F10  1  0.2195  0.8801  0.6410  1.0
  F  F11  1  0.2674  0.4647  0.6913  1.0
  F  F12  1  0.2713  0.7699  0.9931  1.0
  F  F13  1  0.3325  0.2876  0.9860  1.0
  F  F14  1  0.7235  0.1652  0.9537  1.0
  F  F15  1  0.7461  0.7325  0.0412  1.0
  F  F16  1  0.7481  0.1029  0.3521  1.0
  F  F17  1  0.7938  0.8508  0.7517  1.0
  F  F18  1  0.7938  0.5601  0.3448  1.0
]