data_[Ta10Al2Tc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4720]
_cell_length_b [6.3466]
_cell_length_c [13.4412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta5AlTc6]
_chemical_formula_sum '[Ta10 Al2 Tc12]'
_cell_volume [381.4856]
_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  4  0.0000  0.0000  0.3324  1
  Ta  Ta1  4  0.0000  0.5000  0.3389  1
  Ta  Ta2  2  0.0000  0.5000  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Tc  Tc4  8  0.0000  0.2507  0.8325  1
  Tc  Tc5  4  0.0000  0.2473  0.5000  1
]