data_[Ta11Mo5]
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 [Pm]
_cell_length_a [6.5400]
_cell_length_b [6.5521]
_cell_length_c [6.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta11Mo5]
_chemical_formula_sum '[Ta11 Mo5]'
_cell_volume [280.4492]
_cell_formula_units_Z [1]
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  2  0.2516  0.2478  0.2518  1.0
  Ta  Ta1  2  0.2528  0.2475  0.7469  1.0
  Ta  Ta2  2  0.7471  0.2474  0.2526  1.0
  Ta  Ta3  1  0.5058  0.5000  0.9955  1.0
  Ta  Ta4  1  0.5080  0.5000  0.5061  1.0
  Ta  Ta5  1  0.9929  0.0000  0.9949  1.0
  Ta  Ta6  1  0.9943  0.0000  0.5052  1.0
  Ta  Ta7  1  0.9954  0.5000  0.9940  1.0
  Mo  Mo8  2  0.7488  0.2482  0.7491  1.0
  Mo  Mo9  1  0.0002  0.5000  0.5009  1.0
  Mo  Mo10  1  0.5007  0.0000  0.9986  1.0
  Mo  Mo11  1  0.5021  0.0000  0.5039  1.0
]