data_[Ta6Mo26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.3870]
_cell_length_b [9.0353]
_cell_length_c [9.0556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ta3Mo13]
_chemical_formula_sum '[Ta6 Mo26]'
_cell_volume [522.5810]
_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  0.2480  0.0000  0.5021  1.0
  Ta  Ta1  2  0.5000  0.0000  0.2451  1.0
  Mo  Mo2  8  0.2487  0.2490  0.7498  1.0
  Mo  Mo3  4  0.0000  0.2472  0.0004  1.0
  Mo  Mo4  4  0.2486  0.0000  0.9981  1.0
  Mo  Mo5  4  0.5000  0.2479  0.0001  1.0
  Mo  Mo6  2  0.0000  0.0000  0.2481  1.0
  Mo  Mo7  2  0.0000  0.0000  0.7532  1.0
  Mo  Mo8  2  0.5000  0.0000  0.7532  1.0
]