data_[Sm1Mg5Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6716]
_cell_length_b [4.6716]
_cell_length_c [14.6082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SmMg5Sb4]
_chemical_formula_sum '[Sm1 Mg5 Sb4]'
_cell_volume [276.0943]
_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  1.0
  Mg  Mg1  2  0.3333  0.6667  0.1913  1.0
  Mg  Mg2  2  0.3333  0.6667  0.6719  1.0
  Mg  Mg3  1  0.0000  0.0000  0.5000  1.0
  Sb  Sb4  2  0.3333  0.6667  0.3900  1.0
  Sb  Sb5  2  0.3333  0.6667  0.8758  1.0
]