data_[Ca4Tm2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [7.2552]
_cell_length_b [3.6462]
_cell_length_c [9.7173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2TmF7]
_chemical_formula_sum '[Ca4 Tm2 F14]'
_cell_volume [257.0094]
_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
[
  Ca  Ca0  2  0.1328  0.5000  0.3477  1
  Ca  Ca1  2  0.2925  0.0000  0.6794  1
  Tm  Tm2  2  0.0434  0.0000  0.9998  1
  F  F3  2  0.1319  0.5000  0.5850  1
  F  F4  2  0.1528  0.5000  0.8710  1
  F  F5  2  0.1605  0.5000  0.1166  1
  F  F6  2  0.3128  0.0000  0.4258  1
  F  F7  2  0.3491  0.0000  0.9899  1
  F  F8  2  0.4677  0.5000  0.7597  1
  F  F9  2  0.4861  0.5000  0.2417  1
]