data_GaFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   101.62
_cell_angle_beta   101.62
_cell_angle_gamma   34.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Tc
_chemical_formula_sum   'Ga1 Fe2 Tc1'
_cell_volume   51.72
_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
  Ga  Ga2  1  0.86  0.0  0.29  1.0
  Fe  Fe0  1  0.62  0.0  0.02  1.0
  Fe  Fe1  1  0.48  0.0  0.33  1.0
  Tc  Tc3  1  0.22  0.0  1.0  1.0

data_GaFe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   101.62
_cell_angle_beta   90.0
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Tc
_chemical_formula_sum   'Ga1 Fe2 Tc1'
_cell_volume   51.72
_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
  Ga  Ga0  1  0.0  0.14  0.71  1.0
  Fe  Fe1  1  0.0  0.38  0.98  1.0
  Fe  Fe2  1  0.0  0.52  0.67  1.0
  Tc  Tc3  1  0.0  0.78  0.0  1.0

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