data_[Ta1Nb3Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.2216]
_cell_length_b [4.5763]
_cell_length_c [9.1519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [TaNb3Mo4]
_chemical_formula_sum '[Ta1 Nb3 Mo4]'
_cell_volume [134.9262]
_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  1  0.5000  0.5000  0.0000  1
  Nb  Nb1  2  0.5000  0.0000  0.2493  1
  Nb  Nb2  1  0.5000  0.5000  0.5000  1
  Mo  Mo3  2  0.0000  0.5000  0.2501  1
  Mo  Mo4  1  0.0000  0.0000  0.0000  1
  Mo  Mo5  1  0.0000  0.0000  0.5000  1
]