data_[Na2Ca2Tm2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.2117]
_cell_length_b [5.2117]
_cell_length_c [10.5655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaCaTmF6]
_chemical_formula_sum '[Na2 Ca2 Tm2 F12]'
_cell_volume [286.9732]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.9992  1.0
  Ca  Ca1  2  0.0000  0.0000  0.6675  1.0
  Tm  Tm2  2  0.0000  0.0000  0.3334  1.0
  F  F3  4  0.1857  0.8143  0.4916  1.0
  F  F4  4  0.1934  0.8066  0.1808  1.0
  F  F5  4  0.2076  0.7924  0.8275  1.0
]