data_[Y2Sc2Cr4B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8610]
_cell_length_b [3.3771]
_cell_length_c [11.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YSc(CrB4)2]
_chemical_formula_sum '[Y2 Sc2 Cr4 B16]'
_cell_volume [223.9419]
_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
[
  Y  Y0  2  0.1253  0.0000  0.1521  1
  Sc  Sc1  2  0.3745  0.0000  0.6486  1
  Cr  Cr2  2  0.1238  0.0000  0.4214  1
  Cr  Cr3  2  0.3773  0.0000  0.9189  1
  B  B4  2  0.0267  0.5000  0.6910  1
  B  B5  2  0.1167  0.5000  0.5477  1
  B  B6  2  0.1370  0.5000  0.9669  1
  B  B7  2  0.2196  0.5000  0.8126  1
  B  B8  2  0.2858  0.5000  0.3175  1
  B  B9  2  0.3665  0.5000  0.4683  1
  B  B10  2  0.3876  0.5000  0.0475  1
  B  B11  2  0.4778  0.5000  0.1955  1
]