data_[Ta2Ti4Nb2Mo1]
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
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4021]
_cell_length_b [5.4130]
_cell_length_c [5.4291]
_cell_angle_alpha [95.1750]
_cell_angle_beta [94.4236]
_cell_angle_gamma [94.5540]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta2Ti4Nb2Mo]
_chemical_formula_sum '[Ta2 Ti4 Nb2 Mo1]'
_cell_volume [157.0383]
_cell_formula_units_Z [1]
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  0.1038  0.7738  0.4227  1.0
  Ti  Ti1  2  0.2218  0.5851  0.8951  1.0
  Ti  Ti2  2  0.4182  0.1037  0.7764  1.0
  Nb  Nb3  2  0.3304  0.3306  0.3276  1.0
  Mo  Mo4  1  0.0000  0.0000  0.0000  1.0
]