data_La2TcPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.62
_cell_angle_alpha   90.86
_cell_angle_beta   90.86
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TcPt
_chemical_formula_sum   'La2 Tc1 Pt1'
_cell_volume   94.72
_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
  La  La0  1  0.75  0.83  0.81  1.0
  La  La1  1  0.75  0.17  0.81  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.57  0.0  0.0  1.0

data_La2TcPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.62
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2TcPt
_chemical_formula_sum   'La2 Tc1 Pt1'
_cell_volume   94.76
_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
  La  La0  2  0.81  0.17  0.75  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.57  1.0

La La Tc Pt
La La Tc Pt 0 1 o + o 0 3 o + + 0 2 + + + 1 3 o o + 1 2 + o + 