data_[Ta4Ti4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7575]
_cell_length_b [4.5151]
_cell_length_c [5.6308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaTiMo]
_chemical_formula_sum '[Ta4 Ti4 Mo4]'
_cell_volume [203.3809]
_cell_formula_units_Z [4]
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  0.1851  0.5000  0.6718  1.0
  Ta  Ta1  2  0.3732  0.0000  0.0297  1.0
  Ti  Ti2  2  0.0256  0.0000  0.8295  1.0
  Ti  Ti3  2  0.2183  0.5000  0.1988  1.0
  Mo  Mo4  2  0.0408  0.0000  0.3487  1.0
  Mo  Mo5  2  0.3610  0.0000  0.5164  1.0
]