data_NbGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   143.66
_cell_angle_beta   127.12
_cell_angle_gamma   65.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaTc2
_chemical_formula_sum   'Nb1 Ga1 Tc2'
_cell_volume   62.0
_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
  Nb  Nb1  1  0.0  0.0  0.28  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.27  0.09  1.0
  Tc  Tc3  1  0.59  0.0  0.19  1.0

data_NbGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.55
_cell_length_c   5.1
_cell_angle_alpha   116.44
_cell_angle_beta   108.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaTc2
_chemical_formula_sum   'Nb1 Ga1 Tc2'
_cell_volume   62.0
_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
  Nb  Nb0  1  0.0  0.28  0.28  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.19  0.6  1.0
  Tc  Tc3  1  0.73  0.82  0.82  1.0

Nb Ga Tc Tc
Nb Ga Tc Tc 0 1 o o o 0 3 - o o 1 2 o o o 