data_[Mn1Ag2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1401]
_cell_length_b [3.5255]
_cell_length_c [6.3065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MnAg2Au]
_chemical_formula_sum '[Mn1 Ag2 Au1]'
_cell_volume [69.8173]
_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  0.5000  0.5000  0.7424  1.0
  Ag  Ag1  1  0.0000  0.0000  0.9913  1.0
  Ag  Ag2  1  0.5000  0.5000  0.2489  1.0
  Au  Au3  1  0.0000  0.0000  0.5174  1.0
]