data_[Sm6Mn3B3Pt18]
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
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6854]
_cell_length_b [5.6854]
_cell_length_c [19.6548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2MnBPt6]
_chemical_formula_sum '[Sm6 Mn3 B3 Pt18]'
_cell_volume [550.1999]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2109  1
  Mn  Mn1  3  -0.0000  -0.0000  0.5000  1
  B  B2  3  -0.0000  -0.0000  0.0000  1
  Pt  Pt3  18  0.0103  0.5052  0.2691  1
]