data_Ga2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   144.29
_cell_angle_beta   136.42
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcAg
_chemical_formula_sum   'Ga2 Tc1 Ag1'
_cell_volume   63.93
_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  0.0  0.0  0.09  1.0
  Ga  Ga2  1  0.67  0.0  0.56  1.0
  Tc  Tc3  1  0.0  0.0  0.6  1.0
  Ag  Ag0  1  0.0  0.02  0.28  1.0

data_Ga2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.03
_cell_length_c   5.43
_cell_angle_alpha   111.79
_cell_angle_beta   107.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcAg
_chemical_formula_sum   'Ga2 Tc1 Ag1'
_cell_volume   63.93
_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  0.09  0.09  1.0
  Ga  Ga1  1  0.0  0.56  0.9  1.0
  Tc  Tc2  1  0.0  0.6  0.6  1.0
  Ag  Ag3  1  0.98  0.26  0.26  1.0

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