data_MnAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.43
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Au
_chemical_formula_sum   'Mn1 As2 Au1'
_cell_volume   68.21
_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  Mn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.6  0.72  0.34  1.0
  As  As1  1  0.6  0.72  0.88  1.0
  Au  Au2  1  0.0  0.0  0.11  1.0

data_MnAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.43
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Au
_chemical_formula_sum   'Mn1 As2 Au1'
_cell_volume   68.21
_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
  As  As1  1  0.6  0.72  0.34  1.0
  As  As2  1  0.6  0.72  0.88  1.0
  Au  Au3  1  0.0  0.0  0.11  1.0

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