data_[Be8Fe48Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9529]
_cell_length_b [11.1705]
_cell_length_c [11.0199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BeFe6Mo]
_chemical_formula_sum '[Be8 Fe48 Mo8]'
_cell_volume [732.7837]
_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  4  0.0000  0.2460  0.0000  1
  Be  Be1  4  0.0000  0.5000  0.2379  1
  Fe  Fe2  16  0.2404  0.3779  0.3691  1
  Fe  Fe3  16  0.2440  0.3711  0.1169  1
  Fe  Fe4  8  0.0000  0.2520  0.2418  1
  Fe  Fe5  2  0.0000  0.0000  0.0000  1
  Fe  Fe6  2  0.0000  0.0000  0.5000  1
  Fe  Fe7  2  0.0000  0.5000  0.0000  1
  Fe  Fe8  2  0.0000  0.5000  0.5000  1
  Mo  Mo9  4  0.0000  0.0000  0.2431  1
  Mo  Mo10  4  0.0000  0.2434  0.5000  1
]