data_Ga2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.34
_cell_angle_alpha   108.76
_cell_angle_beta   108.76
_cell_angle_gamma   34.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CuTc
_chemical_formula_sum   'Ga2 Cu1 Tc1'
_cell_volume   57.3
_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  Ga1  1  0.17  0.0  0.82  1.0
  Ga  Ga2  1  0.75  0.0  0.32  1.0
  Cu  Cu0  1  0.18  0.0  0.32  1.0
  Tc  Tc3  1  0.13  0.0  0.76  1.0

data_Ga2CuTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.34
_cell_length_c   5.0
_cell_angle_alpha   108.76
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CuTc
_chemical_formula_sum   'Ga2 Cu1 Tc1'
_cell_volume   57.3
_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  0.32  0.75  1.0
  Ga  Ga1  1  0.0  0.82  0.17  1.0
  Cu  Cu2  1  0.0  0.32  0.18  1.0
  Tc  Tc3  1  0.0  0.76  0.13  1.0

Ga Ga Cu Tc
Ga Ga Cu Tc 0 3 o o o 0 1 - o o 0 2 o o + 0 2 o o o 1 2 + o o 1 3 + o o 2 3 o o - 2 3 o o o 