data_[Li2Mg1Cu1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0087]
_cell_length_b [5.1623]
_cell_length_c [5.3744]
_cell_angle_alpha [64.1071]
_cell_angle_beta [89.7086]
_cell_angle_gamma [62.4027]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2MgCuF6]
_chemical_formula_sum '[Li2 Mg1 Cu1 F6]'
_cell_volume [107.3466]
_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
[
  Li  Li0  1  0.4604  0.0651  0.4251  1.0
  Li  Li1  1  0.9662  0.0827  0.9188  1.0
  Mg  Mg2  1  0.1807  0.6358  0.5435  1.0
  Cu  Cu3  1  0.6828  0.6376  0.0453  1.0
  F  F4  1  0.1081  0.0898  0.2660  1.0
  F  F5  1  0.2527  0.1783  0.7248  1.0
  F  F6  1  0.4290  0.4965  0.2748  1.0
  F  F7  1  0.5753  0.5167  0.7773  1.0
  F  F8  1  0.7808  0.8092  0.2654  1.0
  F  F9  1  0.9024  0.8114  0.7741  1.0
]