data_[Na2Tm1Ni1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9478]
_cell_length_b [6.5732]
_cell_length_c [5.1468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2TmNiF8]
_chemical_formula_sum '[Na2 Tm1 Ni1 F8]'
_cell_volume [167.3402]
_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
[
  Na  Na0  2  0.5000  0.2386  0.5000  1.0
  Tm  Tm1  1  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1816  0.2285  0.8250  1.0
  F  F4  2  0.2637  0.0000  0.2593  1.0
  F  F5  2  0.3002  0.5000  0.2918  1.0
]