data_CrGa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   8.73
_cell_length_c   8.73
_cell_angle_alpha   18.63
_cell_angle_beta   18.63
_cell_angle_gamma   18.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Tc
_chemical_formula_sum   'Cr1 Ga2 Tc1'
_cell_volume   59.36
_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  0.0  0.0  0.33  1.0
  Ga  Ga1  1  0.0  0.0  0.56  1.0
  Ga  Ga2  1  0.0  0.0  0.41  1.0
  Tc  Tc3  1  0.0  0.0  0.03  1.0

data_CrGa2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrGa2Tc
_chemical_formula_sum   'Cr2 Ga4 Tc2'
_cell_volume   118.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.67  1.0
  Ga  Ga1  2  0.0  0.0  0.44  1.0
  Ga  Ga2  2  0.0  0.0  0.59  1.0
  Tc  Tc3  2  0.0  0.0  0.97  1.0

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