data_[Ta4As4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5714]
_cell_length_b [3.9674]
_cell_length_c [7.8136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaAsF]
_chemical_formula_sum '[Ta4 As4 F4]'
_cell_volume [279.6519]
_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
[
  Ta  Ta0  4  0.1348  0.0000  0.4591  1
  As  As1  4  0.0778  0.5000  0.2269  1
  F  F2  4  0.1079  0.0000  0.6901  1
]