data_[Ba1Tm2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1997]
_cell_length_b [5.5865]
_cell_length_c [6.6021]
_cell_angle_alpha [66.2214]
_cell_angle_beta [71.0631]
_cell_angle_gamma [82.3482]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaTm2F8]
_chemical_formula_sum '[Ba1 Tm2 F8]'
_cell_volume [166.0016]
_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
[
  Ba  Ba0  1  0.9790  0.9476  0.9718  1.0
  Tm  Tm1  1  0.3613  0.3218  0.3031  1.0
  Tm  Tm2  1  0.5584  0.6373  0.6267  1.0
  F  F3  1  0.1569  0.4565  0.0371  1.0
  F  F4  1  0.2037  0.9240  0.5489  1.0
  F  F5  1  0.3415  0.3149  0.6507  1.0
  F  F6  1  0.5325  0.6651  0.2720  1.0
  F  F7  1  0.5607  0.8431  0.8324  1.0
  F  F8  1  0.6453  0.3397  0.9483  1.0
  F  F9  1  0.7053  0.0396  0.3591  1.0
  F  F10  1  0.9554  0.5104  0.4498  1.0
]