data_[Te4As2N2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7042]
_cell_length_b [5.6504]
_cell_length_c [5.3179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2AsNF6]
_chemical_formula_sum '[Te4 As2 N2 F12]'
_cell_volume [291.5037]
_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
[
  Te  Te0  4  0.1862  0.5000  0.4203  1
  As  As1  2  0.0000  0.0000  0.0000  1
  N  N2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.1185  0.2209  0.9180  1
  F  F4  4  0.0679  0.0000  0.3089  1
]