data_[Ti4Tc10B4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3197]
_cell_length_b [9.3197]
_cell_length_c [3.0928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti2Tc5B2Mo]
_chemical_formula_sum '[Ti4 Tc10 B4 Mo2]'
_cell_volume [268.6284]
_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
[
  Ti  Ti0  4  0.1737  0.3263  0.0000  1
  Tc  Tc1  8  0.0707  0.7868  0.5000  1
  Tc  Tc2  2  0.0000  0.5000  0.5000  1
  B  B3  4  0.1235  0.6235  0.0000  1
  Mo  Mo4  2  0.0000  0.0000  0.0000  1
]