data_MnTc2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   142.45
_cell_angle_beta   130.35
_cell_angle_gamma   63.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Au
_chemical_formula_sum   'Mn1 Tc2 Au1'
_cell_volume   58.24
_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  Mn1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.11  0.36  1.0
  Tc  Tc3  1  0.62  0.0  0.91  1.0
  Au  Au0  1  0.0  0.0  0.27  1.0

data_MnTc2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.22
_cell_length_c   5.03
_cell_angle_alpha   114.82
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Au
_chemical_formula_sum   'Mn1 Tc2 Au1'
_cell_volume   58.24
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.64  0.75  0.75  1.0
  Tc  Tc2  1  0.71  0.09  0.71  1.0
  Au  Au3  1  0.73  0.73  0.73  1.0

Mn Tc Tc Au
Mn Tc Tc Au 0 1 o o o 0 3 o o o 0 2 - o - 1 3 o o o 1 2 - o - 2 3 + o + 