data_[Ta12Mo9]
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 [R3]
_cell_length_a [12.0099]
_cell_length_b [12.0099]
_cell_length_c [2.8832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ta4Mo3]
_chemical_formula_sum '[Ta12 Mo9]'
_cell_volume [360.1509]
_cell_formula_units_Z [3]
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  9  0.1460  0.4275  0.2945  1.0
  Ta  Ta1  3  0.0000  0.0000  0.2588  1.0
  Mo  Mo2  9  0.0461  0.8070  0.9526  1.0
]