data_GaTcPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   153.75
_cell_angle_beta   153.75
_cell_angle_gamma   37.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcPt
_chemical_formula_sum   'Ga1 Tc1 Pt1'
_cell_volume   44.9
_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  0.0  0.03  1.0
  Tc  Tc2  1  0.0  0.0  0.73  1.0
  Pt  Pt1  1  0.0  0.0  0.85  1.0

data_GaTcPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   108.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaTcPt
_chemical_formula_sum   'Ga2 Tc2 Pt2'
_cell_volume   89.79
_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
  Ga  Ga0  2  0.03  0.0  0.03  1.0
  Tc  Tc1  2  0.23  0.5  0.73  1.0
  Pt  Pt2  2  0.35  0.5  0.85  1.0

Ga Tc Pt
Ga Tc Pt 0 2 o o - 1 2 o o o 