data_[Ta2Mo4]
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 [P-1]
_cell_length_a [2.8355]
_cell_length_b [5.2963]
_cell_length_c [6.9449]
_cell_angle_alpha [77.8450]
_cell_angle_beta [82.1247]
_cell_angle_gamma [79.3491]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaMo2]
_chemical_formula_sum '[Ta2 Mo4]'
_cell_volume [99.6770]
_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  0.0884  0.0849  0.6700  1.0
  Mo  Mo1  2  0.2569  0.2520  0.9992  1.0
  Mo  Mo2  2  0.4206  0.4173  0.3301  1.0
]