data_[Ta14Mo2]
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 [C2/m]
_cell_length_a [9.9017]
_cell_length_b [4.6475]
_cell_length_c [6.6085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta7Mo]
_chemical_formula_sum '[Ta14 Mo2]'
_cell_volume [286.9282]
_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  0.0019  0.5000  0.2451  1.0
  Ta  Ta1  4  0.2419  0.0000  0.8744  1.0
  Ta  Ta2  4  0.2467  0.0000  0.3704  1.0
  Ta  Ta3  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo4  2  0.0000  0.0000  0.0000  1.0
]