data_[Sm4Mn6B10]
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
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.1632]
_cell_length_b [3.8695]
_cell_length_c [7.8573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Sm2Mn3B5]
_chemical_formula_sum '[Sm4 Mn6 B10]'
_cell_volume [251.1630]
_cell_formula_units_Z [2]
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  0.1728  0.2196  0.7640  1.0
  Mn  Mn1  4  0.1349  0.7425  0.4053  1.0
  Mn  Mn2  2  0.0000  0.0178  0.0000  1.0
  B  B3  4  0.0180  0.5172  0.1178  1.0
  B  B4  4  0.1410  0.2328  0.3126  1.0
  B  B5  2  0.0000  0.7254  0.5000  1.0
]