data_[Ti12Ga4Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0013]
_cell_length_b [7.3996]
_cell_length_c [9.1404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ti6Ga2Tc]
_chemical_formula_sum '[Ti12 Ga4 Tc2]'
_cell_volume [302.6322]
_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  0.1022  0.0348  0.2091  1
  Ti  Ti1  4  0.1259  0.6886  0.0546  1
  Ti  Ti2  4  0.4570  0.1661  0.0498  1
  Ga  Ga3  4  0.3412  0.1159  0.7386  1
  Tc  Tc4  2  0.5000  0.0000  0.5000  1
]