data_GaTc2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.05
_cell_angle_alpha   101.33
_cell_angle_beta   101.33
_cell_angle_gamma   39.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Ge
_chemical_formula_sum   'Ga1 Tc2 Ge1'
_cell_volume   59.67
_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  Tc2  1  0.92  0.0  0.26  1.0
  Tc  Tc3  1  0.24  0.0  0.68  1.0
  Ge  Ge1  1  0.58  0.0  0.47  1.0

data_GaTc2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.37
_cell_length_c   5.05
_cell_angle_alpha   101.33
_cell_angle_beta   90.0
_cell_angle_gamma   109.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Ge
_chemical_formula_sum   'Ga1 Tc2 Ge1'
_cell_volume   59.67
_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  0.08  0.74  1.0
  Tc  Tc2  1  0.0  0.76  0.32  1.0
  Ge  Ge3  1  0.0  0.42  0.53  1.0

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