data_[Sc4Mn6Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3896]
_cell_length_b [6.3960]
_cell_length_c [6.3923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sc2Mn3Si4]
_chemical_formula_sum '[Sc4 Mn6 Si8]'
_cell_volume [245.7211]
_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  4  0.1892  0.6681  0.5542  1
  Mn  Mn1  4  0.2396  0.1463  0.7570  1
  Mn  Mn2  2  0.5000  0.0000  0.5000  1
  Si  Si3  4  0.1031  0.0523  0.3742  1
  Si  Si4  4  0.4882  0.1429  0.1336  1
]