data_[Be4Ni2B2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1224]
_cell_length_b [3.2211]
_cell_length_c [9.2499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Be2NiBMo]
_chemical_formula_sum '[Be4 Ni2 B2 Mo2]'
_cell_volume [93.0321]
_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  2  0.0000  0.0000  0.0427  1.0
  Be  Be1  2  0.0000  0.5000  0.7042  1.0
  Ni  Ni2  2  0.0000  0.5000  0.1938  1.0
  B  B3  2  0.0000  0.0000  0.8397  1.0
  Mo  Mo4  2  0.0000  0.0000  0.4318  1.0
]