data_[Sm4Mn4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.0288]
_cell_length_b [6.2245]
_cell_length_c [6.0557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [SmMnSb3]
_chemical_formula_sum '[Sm4 Mn4 Sb12]'
_cell_volume [491.0980]
_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  0.3092  0.5041  0.2500  1.0
  Mn  Mn1  4  0.0932  0.2500  0.0000  1.0
  Sb  Sb2  4  0.0637  0.6030  0.2500  1.0
  Sb  Sb3  4  0.2245  0.0019  0.2500  1.0
  Sb  Sb4  4  0.4980  0.2500  0.0000  1.0
]