data_[Ta10Ti4Mo8]
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 [C2/m]
_cell_length_a [17.8908]
_cell_length_b [4.2856]
_cell_length_c [5.7603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta5(TiMo2)2]
_chemical_formula_sum '[Ta10 Ti4 Mo8]'
_cell_volume [432.9014]
_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  0.2053  0.0000  0.1126  1
  Ta  Ta1  4  0.2134  0.0000  0.6327  1
  Ta  Ta2  2  0.0000  0.5000  0.0000  1
  Ti  Ti3  4  0.0673  0.0000  0.7169  1
  Mo  Mo4  4  0.0698  0.0000  0.2175  1
  Mo  Mo5  4  0.1386  0.5000  0.4268  1
]