data_Ga2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.45
_cell_angle_alpha   110.01
_cell_angle_beta   110.01
_cell_angle_gamma   32.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcNi
_chemical_formula_sum   'Ga2 Tc1 Ni1'
_cell_volume   54.92
_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  0.95  0.0  0.29  1.0
  Ga  Ga1  1  0.21  0.0  0.8  1.0
  Tc  Tc3  1  0.91  0.0  0.76  1.0
  Ni  Ni2  1  0.8  0.0  0.38  1.0

data_Ga2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.45
_cell_length_c   4.95
_cell_angle_alpha   110.01
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcNi
_chemical_formula_sum   'Ga2 Tc1 Ni1'
_cell_volume   54.92
_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  0.29  0.95  1.0
  Ga  Ga1  1  0.0  0.8  0.21  1.0
  Tc  Tc2  1  0.0  0.76  0.91  1.0
  Ni  Ni3  1  0.0  0.38  0.8  1.0

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