data_MnTcPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.8
_cell_angle_alpha   99.89
_cell_angle_beta   99.89
_cell_angle_gamma   33.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcPt2
_chemical_formula_sum   'Mn1 Tc1 Pt2'
_cell_volume   59.36
_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
  Mn  Mn0  1  0.6  0.0  0.57  1.0
  Tc  Tc3  1  0.17  0.0  0.32  1.0
  Pt  Pt1  1  0.22  0.0  0.65  1.0
  Pt  Pt2  1  0.63  0.0  0.28  1.0

data_MnTcPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.76
_cell_length_c   4.8
_cell_angle_alpha   99.89
_cell_angle_beta   90.0
_cell_angle_gamma   106.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcPt2
_chemical_formula_sum   'Mn1 Tc1 Pt2'
_cell_volume   59.36
_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
  Mn  Mn0  1  0.0  0.4  0.43  1.0
  Tc  Tc1  1  0.0  0.83  0.68  1.0
  Pt  Pt2  1  0.0  0.37  0.72  1.0
  Pt  Pt3  1  0.0  0.78  0.35  1.0

Mn Tc Pt Pt
Mn Tc Pt Pt 0 3 o o o 1 2 o o o 