data_[Sc4Mn2Cr2Si4C2]
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
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2853]
_cell_length_b [3.5337]
_cell_length_c [6.6445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc2MnCrSi2C]
_chemical_formula_sum '[Sc4 Mn2 Cr2 Si4 C2]'
_cell_volume [197.4319]
_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  0.0689  0.5000  0.2856  1
  Sc  Sc1  2  0.4309  0.0000  0.7140  1
  Mn  Mn2  2  0.2949  0.5000  0.9222  1
  Cr  Cr3  2  0.2021  0.0000  0.0765  1
  Si  Si4  2  0.1419  0.0000  0.6698  1
  Si  Si5  2  0.3640  0.5000  0.3339  1
  C  C6  2  0.4972  0.5000  0.9980  1
]