data_[Cs4Ca4Tm4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Imma]
_cell_length_a [8.1392]
_cell_length_b [8.2637]
_cell_length_c [11.7072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsCaTmF6]
_chemical_formula_sum '[Cs4 Ca4 Tm4 F24]'
_cell_volume [787.4241]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.5868  1.0
  Ca  Ca1  4  0.2500  0.2500  0.2500  1.0
  Tm  Tm2  4  0.0000  0.0000  0.0000  1.0
  F  F3  16  0.1899  0.0508  0.1207  1.0
  F  F4  4  0.0000  0.2500  0.3309  1.0
  F  F5  4  0.0000  0.2500  0.9439  1.0
]