data_[Ta10As8]
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
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8978]
_cell_length_b [9.8978]
_cell_length_c [3.4517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ta5As4]
_chemical_formula_sum '[Ta10 As8]'
_cell_volume [338.1491]
_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
[
  Ta  Ta0  8  0.1319  0.1941  0.5000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  As  As2  8  0.0519  0.7151  0.0000  1.0
]