data_TiTcPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   133.32
_cell_angle_beta   133.32
_cell_angle_gamma   68.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcPt2
_chemical_formula_sum   'Ti1 Tc1 Pt2'
_cell_volume   60.41
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.04  1.0
  Pt  Pt0  1  0.93  0.0  0.02  1.0
  Pt  Pt1  1  0.0  0.93  0.02  1.0

data_TiTcPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   124.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTcPt2
_chemical_formula_sum   'Ti2 Tc2 Pt4'
_cell_volume   120.81
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.46  0.5  0.96  1.0
  Pt  Pt2  4  0.45  0.47  0.91  1.0

Ti Tc Pt Pt
Ti Tc Pt Pt 0 1 o o o 1 2 - o o 1 3 o - o 