data_[Be4Cr4Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7234]
_cell_length_b [2.8876]
_cell_length_c [5.8341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeCrOs]
_chemical_formula_sum '[Be4 Cr4 Os4]'
_cell_volume [138.6913]
_cell_formula_units_Z [4]
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  0.0000  1.0
  Be  Be1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  4  0.1760  0.5000  0.3501  1.0
  Os  Os3  4  0.1552  0.5000  0.8255  1.0
]