data_[Be4Fe10Co2Mo4]
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
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5060]
_cell_length_b [8.5060]
_cell_length_c [3.0711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Be2Fe5CoMo2]
_chemical_formula_sum '[Be4 Fe10 Co2 Mo4]'
_cell_volume [222.2011]
_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  0.1211  0.6211  0.0000  1
  Fe  Fe1  8  0.0635  0.7920  0.5000  1
  Fe  Fe2  2  0.0000  0.5000  0.5000  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
  Mo  Mo4  4  0.1762  0.3238  0.0000  1
]