data_CrGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.02
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   103.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaTc2
_chemical_formula_sum   'Cr1 Ga1 Tc2'
_cell_volume   55.89
_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  0.0  1.0
  Ga  Ga1  1  0.41  0.0  0.54  1.0
  Tc  Tc2  1  0.67  0.01  0.83  1.0
  Tc  Tc3  1  0.88  0.01  0.24  1.0

data_CrGaTc2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   4.02
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   103.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrGaTc2
_chemical_formula_sum   'Cr1 Ga1 Tc2'
_cell_volume   55.89
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Ga  Ga1  1  0.41  0.0  0.54  1.0
  Tc  Tc2  1  0.67  0.0  0.83  1.0
  Tc  Tc3  1  0.88  0.0  0.24  1.0

Cr Ga Tc Tc