data_[Li1Ac1Mg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.2870]
_cell_length_b [5.2870]
_cell_length_c [5.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [LiAcMgF6]
_chemical_formula_sum '[Li1 Ac1 Mg1 F6]'
_cell_volume [127.8933]
_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  0.0000  0.0000  0.5000  1
  Ac  Ac1  1  0.3333  0.6667  0.0000  1
  Mg  Mg2  1  0.6667  0.3333  0.5000  1
  F  F3  6  0.3419  0.0366  0.7166  1
]