data_MgTcPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   17.85
_cell_angle_beta   17.85
_cell_angle_gamma   17.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcPt2
_chemical_formula_sum   'Mg1 Tc1 Pt2'
_cell_volume   61.91
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.44  1.0
  Pt  Pt1  1  0.0  0.0  0.71  1.0
  Pt  Pt2  1  0.0  0.0  0.16  1.0

data_MgTcPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   100.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTcPt2
_chemical_formula_sum   'Mg2 Tc2 Pt4'
_cell_volume   123.82
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.56  1.0
  Pt  Pt2  2  0.0  0.0  0.29  1.0
  Pt  Pt3  2  0.0  0.0  0.84  1.0

Mg Tc Pt Pt
Mg Tc Pt Pt 0 3 o o o 0 2 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 