data_[Sc2Mn10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.6727]
_cell_length_b [2.7426]
_cell_length_c [5.3905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ScMn5]
_chemical_formula_sum '[Sc2 Mn10]'
_cell_volume [153.1363]
_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
[
  Sc  Sc0  2  0.0000  0.5748  0.5000  1
  Mn  Mn1  4  0.1765  0.1101  0.8573  1
  Mn  Mn2  4  0.1906  0.1181  0.3329  1
  Mn  Mn3  2  0.0000  0.8022  0.0000  1
]