data_[Ta2Ti2Nb4Mo2]
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 [P2_1/m]
_cell_length_a [5.4162]
_cell_length_b [4.6019]
_cell_length_c [7.1619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaTiNb2Mo]
_chemical_formula_sum '[Ta2 Ti2 Nb4 Mo2]'
_cell_volume [174.5330]
_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  0.0488  0.7500  0.8586  1.0
  Ti  Ti1  2  0.3712  0.2500  0.9407  1.0
  Nb  Nb2  2  0.1409  0.2500  0.5552  1.0
  Nb  Nb3  2  0.4581  0.7500  0.6511  1.0
  Mo  Mo4  2  0.2440  0.7500  0.2466  1.0
]