data_[Sc2B3C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0360]
_cell_length_b [3.5554]
_cell_length_c [5.2725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sc2B3C]
_chemical_formula_sum '[Sc2 B3 C1]'
_cell_volume [56.9112]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5021  1
  Sc  Sc1  1  0.5000  0.0000  0.9975  1
  B  B2  1  0.0000  0.5000  0.1697  1
  B  B3  1  0.0000  0.5000  0.8284  1
  B  B4  1  0.5000  0.5000  0.3401  1
  C  C5  1  0.5000  0.5000  0.6623  1
]