data_[Be8Cr2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3439]
_cell_length_b [4.3439]
_cell_length_c [7.1031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Be4CrMo]
_chemical_formula_sum '[Be8 Cr2 Mo2]'
_cell_volume [116.0723]
_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  6  0.1700  0.3400  0.2580  1.0
  Be  Be1  1  0.0000  0.0000  0.0000  1.0
  Be  Be2  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr3  2  0.3333  0.6667  0.5598  1.0
  Mo  Mo4  2  0.3333  0.6667  0.9342  1.0
]