data_Mn2TcAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.66
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TcAu
_chemical_formula_sum   'Mn2 Tc1 Au1'
_cell_volume   54.65
_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  0.25  1.0
  Mn  Mn2  1  0.36  0.83  0.32  1.0
  Tc  Tc3  1  0.0  0.0  0.51  1.0
  Au  Au0  1  0.36  0.83  0.19  1.0

data_Mn2TcAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.66
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TcAu
_chemical_formula_sum   'Mn2 Tc1 Au1'
_cell_volume   54.65
_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  0.25  1.0
  Mn  Mn1  1  0.36  0.83  0.32  1.0
  Tc  Tc2  1  0.0  0.0  0.51  1.0
  Au  Au3  1  0.36  0.83  0.19  1.0

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