data_[Yb4Cr4B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.9295]
_cell_length_b [11.4843]
_cell_length_c [3.3695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [YbCrB4]
_chemical_formula_sum '[Yb4 Cr4 B16]'
_cell_volume [229.4499]
_cell_formula_units_Z [4]
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
[
  Yb  Yb0  4  0.1237  0.6514  0.5000  1
  Cr  Cr1  4  0.1232  0.9191  0.5000  1
  B  B2  4  0.0228  0.1922  0.0000  1
  B  B3  4  0.1148  0.0474  0.0000  1
  B  B4  4  0.1361  0.4667  0.0000  1
  B  B5  4  0.2163  0.3153  0.0000  1
]