data_MnPtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   154.42
_cell_angle_beta   154.42
_cell_angle_gamma   36.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPtAu
_chemical_formula_sum   'Mn1 Pt1 Au1'
_cell_volume   44.72
_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
  Mn  Mn1  1  0.0  0.0  0.84  1.0
  Pt  Pt2  1  0.0  0.0  0.08  1.0
  Au  Au0  1  0.0  0.0  0.7  1.0

data_MnPtAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnPtAu
_chemical_formula_sum   'Mn2 Pt2 Au2'
_cell_volume   89.44
_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
  Mn  Mn0  2  0.34  0.5  0.84  1.0
  Pt  Pt1  2  0.08  0.0  0.08  1.0
  Au  Au2  2  0.2  0.5  0.7  1.0

Mn Pt Au
Mn Pt Au 0 2 o o o 0 1 o o + 