data_[Sm1Tm1Th2Sb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2196]
_cell_length_b [5.2196]
_cell_length_c [11.5521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SmTmTh2Sb5]
_chemical_formula_sum '[Sm1 Tm1 Th2 Sb5]'
_cell_volume [314.7294]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1
  Tm  Tm1  1  0.0000  0.0000  0.5000  1
  Th  Th2  2  0.5000  0.5000  0.3001  1
  Sb  Sb3  2  0.0000  0.0000  0.2508  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  Sb  Sb5  1  0.5000  0.5000  0.0000  1
]