data_[Y8B24Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [9.2908]
_cell_length_b [11.6690]
_cell_length_c [3.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Y2B6Mo]
_chemical_formula_sum '[Y8 B24 Mo4]'
_cell_volume [395.7994]
_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
[
  Y  Y0  4  0.0566  0.8709  0.0000  1
  Y  Y1  4  0.1779  0.5858  0.0000  1
  B  B2  4  0.0201  0.7118  0.5000  1
  B  B3  4  0.0521  0.4343  0.5000  1
  B  B4  4  0.1006  0.0281  0.5000  1
  B  B5  4  0.1315  0.1838  0.5000  1
  B  B6  4  0.2061  0.7636  0.5000  1
  B  B7  4  0.2494  0.9207  0.5000  1
  Mo  Mo8  4  0.1395  0.3202  0.0000  1
]