data_[Ta14Nb4Mo4]
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 [Imm2]
_cell_length_a [3.2633]
_cell_length_b [14.0506]
_cell_length_c [8.8809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ta7(NbMo)2]
_chemical_formula_sum '[Ta14 Nb4 Mo4]'
_cell_volume [407.1976]
_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  0.1650  0.3662  1
  Ta  Ta1  4  0.0000  0.1665  0.8794  1
  Ta  Ta2  4  0.0000  0.3390  0.1234  1
  Ta  Ta3  2  0.0000  0.5000  0.4199  1
  Nb  Nb4  2  0.0000  0.0000  0.6255  1
  Nb  Nb5  2  0.0000  0.5000  0.8267  1
  Mo  Mo6  4  0.0000  0.3318  0.6220  1
]