data_[Li2Nd1Ga1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5184]
_cell_length_b [4.8656]
_cell_length_c [6.9652]
_cell_angle_alpha [85.5349]
_cell_angle_beta [89.3426]
_cell_angle_gamma [87.4991]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2NdGaF8]
_chemical_formula_sum '[Li2 Nd1 Ga1 F8]'
_cell_volume [152.5141]
_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  2  0.4714  0.4700  0.2016  1.0
  Nd  Nd1  1  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1762  0.7807  0.2233  1.0
  F  F4  2  0.1822  0.7957  0.7972  1.0
  F  F5  2  0.3005  0.2608  0.9916  1.0
  F  F6  2  0.3780  0.2793  0.4522  1.0
]