data_[Sm4Mg4Te12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.8330]
_cell_length_b [4.2521]
_cell_length_c [12.3862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmMgTe3Au]
_chemical_formula_sum '[Sm4 Mg4 Te12 Au4]'
_cell_volume [675.8867]
_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
[
  Sm  Sm0  4  0.0472  0.7500  0.3038  1
  Mg  Mg1  4  0.2303  0.7500  0.0624  1
  Te  Te2  4  0.0486  0.2500  0.1185  1
  Te  Te3  4  0.0961  0.7500  0.5664  1
  Te  Te4  4  0.1959  0.2500  0.8487  1
  Au  Au5  4  0.2341  0.2500  0.2220  1
]