data_[Li2Mn2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5620]
_cell_length_b [3.0963]
_cell_length_c [4.5649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiMnAu2]
_chemical_formula_sum '[Li2 Mn2 Au4]'
_cell_volume [131.8625]
_cell_formula_units_Z [2]
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
[
  Li  Li0  2  0.4924  0.0000  0.4571  1.0
  Mn  Mn1  2  0.2589  0.0000  0.7920  1.0
  Au  Au2  2  0.2505  0.5000  0.2930  1.0
  Au  Au3  2  0.4982  0.5000  0.9579  1.0
]