data_[Li2Mg1Cr1F6]
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
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0976]
_cell_length_b [5.2310]
_cell_length_c [5.4698]
_cell_angle_alpha [64.1363]
_cell_angle_beta [89.8211]
_cell_angle_gamma [61.3967]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2MgCrF6]
_chemical_formula_sum '[Li2 Mg1 Cr1 F6]'
_cell_volume [111.2514]
_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  0.2278  0.5459  0.6501  1.0
  Li  Li1  1  0.7189  0.5318  0.1589  1.0
  Mg  Mg2  1  0.5053  0.9767  0.5286  1.0
  Cr  Cr3  1  0.0023  0.9773  0.0218  1.0
  F  F4  1  0.1122  0.1022  0.2983  1.0
  F  F5  1  0.2690  0.1194  0.7917  1.0
  F  F6  1  0.4343  0.4352  0.3467  1.0
  F  F7  1  0.5727  0.5271  0.8078  1.0
  F  F8  1  0.7741  0.8022  0.2980  1.0
  F  F9  1  0.9056  0.7967  0.7957  1.0
]