data_[Li4Mn4Te12Au4]
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
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.0509]
_cell_length_b [4.0242]
_cell_length_c [10.9238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiMnTe3Au]
_chemical_formula_sum '[Li4 Mn4 Te12 Au4]'
_cell_volume [573.7023]
_cell_formula_units_Z [4]
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  4  0.1764  0.2500  0.4370  1
  Mn  Mn1  4  0.0118  0.2500  0.1698  1
  Te  Te2  4  0.1004  0.2500  0.9402  1
  Te  Te3  4  0.1305  0.7500  0.6431  1
  Te  Te4  4  0.1552  0.7500  0.2224  1
  Au  Au5  4  0.0158  0.7500  0.4065  1
]