data_[Be176Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.5667]
_cell_length_b [11.5667]
_cell_length_c [11.5667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Be22Mo]
_chemical_formula_sum '[Be176 Mo8]'
_cell_volume [1547.4853]
_cell_formula_units_Z [8]
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
[
  Be  Be0  96  0.0510  0.1848  0.3152  1
  Be  Be1  48  0.0000  0.0000  0.3650  1
  Be  Be2  16  0.1250  0.1250  0.1250  1
  Be  Be3  16  0.1250  0.1250  0.6250  1
  Mo  Mo4  8  0.0000  0.0000  0.0000  1
]