data_GaTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc3
_chemical_formula_sum   'Ga1 Tc3'
_cell_volume   59.32
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.46  0.0  0.63  1.0
  Tc  Tc2  1  0.0  0.0  0.42  1.0
  Tc  Tc3  1  0.46  0.0  0.2  1.0

data_GaTc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc3
_chemical_formula_sum   'Ga1 Tc3'
_cell_volume   59.32
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.42  1.0
  Tc  Tc2  1  0.46  0.0  0.2  1.0
  Tc  Tc3  1  0.46  0.0  0.63  1.0

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