data_[Ta2Mo6]
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 [P2_1/m]
_cell_length_a [5.3095]
_cell_length_b [4.5480]
_cell_length_c [5.5299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaMo3]
_chemical_formula_sum '[Ta2 Mo6]'
_cell_volume [131.4764]
_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  2  0.1290  0.2500  0.4347  1.0
  Mo  Mo1  2  0.1247  0.2500  0.9353  1.0
  Mo  Mo2  2  0.3727  0.7500  0.3103  1.0
  Mo  Mo3  2  0.3764  0.7500  0.8113  1.0
]