data_GaTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.0
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   97.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcOs2
_chemical_formula_sum   'Ga1 Tc1 Os2'
_cell_volume   58.06
_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  0.01  0.0  0.88  1.0
  Tc  Tc3  1  0.77  1.0  0.67  1.0
  Os  Os1  1  0.54  1.0  0.04  1.0
  Os  Os2  1  0.18  0.0  0.27  1.0

data_GaTcOs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.77
_cell_length_b   4.0
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   97.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GaTcOs2
_chemical_formula_sum   'Ga1 Tc1 Os2'
_cell_volume   58.06
_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
  Ga  Ga0  1  0.01  0.0  0.88  1.0
  Tc  Tc1  1  0.77  0.0  0.67  1.0
  Os  Os2  1  0.18  0.0  0.27  1.0
  Os  Os3  1  0.54  0.0  0.04  1.0

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