data_[Sm1Mn6Sb4]
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 [P-6m2]
_cell_length_a [7.6419]
_cell_length_b [7.6419]
_cell_length_c [4.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sm(Mn3Sb2)2]
_chemical_formula_sum '[Sm1 Mn6 Sb4]'
_cell_volume [206.9382]
_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  0.6667  0.3333  0.0000  1
  Mn  Mn1  3  0.2054  0.4108  0.0000  1
  Mn  Mn2  3  0.2440  0.1220  0.5000  1
  Sb  Sb3  3  0.0336  0.5168  0.5000  1
  Sb  Sb4  1  0.0000  0.0000  0.0000  1
]