data_[Tb4Cr2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6642]
_cell_length_b [7.1272]
_cell_length_c [4.7135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2CrF8]
_chemical_formula_sum '[Tb4 Cr2 F16]'
_cell_volume [311.1201]
_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
[
  Tb  Tb0  4  0.1752  0.5000  0.3934  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1566  0.1948  0.2708  1.0
  F  F3  4  0.0741  0.5000  0.7889  1.0
  F  F4  4  0.1336  0.0000  0.7535  1.0
]