data_[Nd2Sc2Mn4Si4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6229]
_cell_length_b [3.8348]
_cell_length_c [6.8427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdScMn2Si2C]
_chemical_formula_sum '[Nd2 Sc2 Mn4 Si4 C2]'
_cell_volume [218.0579]
_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
[
  Nd  Nd0  2  0.0711  0.5000  0.3009  1
  Sc  Sc1  2  0.4379  0.0000  0.7134  1
  Mn  Mn2  2  0.1991  0.0000  0.0858  1
  Mn  Mn3  2  0.2957  0.5000  0.9100  1
  Si  Si4  2  0.1516  0.0000  0.7067  1
  Si  Si5  2  0.3548  0.5000  0.3085  1
  C  C6  2  0.4898  0.5000  0.9748  1
]