data_[Be4B8Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3395]
_cell_length_b [3.1885]
_cell_length_c [6.3697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2B4Mo3]
_chemical_formula_sum '[Be4 B8 Mo6]'
_cell_volume [165.4676]
_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
[
  Be  Be0  4  0.1118  0.5000  0.2759  1
  B  B1  4  0.0533  0.0000  0.3955  1
  B  B2  4  0.2237  0.5000  0.0471  1
  Mo  Mo3  4  0.1656  0.5000  0.6679  1
  Mo  Mo4  2  0.0000  0.0000  0.0000  1
]