data_GaCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.53
_cell_angle_alpha   100.89
_cell_angle_beta   100.89
_cell_angle_gamma   34.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoTc2
_chemical_formula_sum   'Ga1 Co1 Tc2'
_cell_volume   54.43
_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  0.01  0.0  0.22  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.63  0.0  0.38  1.0
  Tc  Tc3  1  0.39  0.0  0.06  1.0

data_GaCoTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.53
_cell_length_c   4.67
_cell_angle_alpha   100.89
_cell_angle_beta   107.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoTc2
_chemical_formula_sum   'Ga1 Co1 Tc2'
_cell_volume   54.43
_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  0.22  0.01  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.06  0.39  1.0
  Tc  Tc3  1  0.0  0.38  0.63  1.0

Ga Co Tc Tc
Ga Co Tc Tc 0 1 o o o 1 3 o o o 2 3 o o o 