data_[Cs1Li1Tm2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2570]
_cell_length_b [6.7327]
_cell_length_c [7.1370]
_cell_angle_alpha [82.8110]
_cell_angle_beta [84.9735]
_cell_angle_gamma [89.4708]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLiTm2F8]
_chemical_formula_sum '[Cs1 Li1 Tm2 F8]'
_cell_volume [202.1676]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  2  0.4401  0.4453  0.7619  1.0
  F  F3  2  0.0546  0.4928  0.2736  1.0
  F  F4  2  0.2542  0.1444  0.8282  1.0
  F  F5  2  0.3799  0.6762  0.9534  1.0
  F  F6  2  0.4753  0.6864  0.5141  1.0
]