data_CrGa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.14
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Tc
_chemical_formula_sum   'Cr1 Ga2 Tc1'
_cell_volume   55.63
_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
  Cr  Cr0  1  0.49  0.0  0.3  1.0
  Ga  Ga1  1  0.0  0.57  0.66  1.0
  Ga  Ga2  1  0.52  0.0  0.47  1.0
  Tc  Tc3  1  0.96  0.57  0.93  1.0

data_CrGa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.14
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Tc
_chemical_formula_sum   'Cr1 Ga2 Tc1'
_cell_volume   55.63
_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
  Cr  Cr0  1  0.49  0.0  0.3  1.0
  Ga  Ga1  1  0.0  0.57  0.66  1.0
  Ga  Ga2  1  0.52  0.0  0.47  1.0
  Tc  Tc3  1  0.96  0.57  0.93  1.0

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