data_[Zr4Be4V2Fe10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.9065]
_cell_length_b [8.9065]
_cell_length_c [3.1105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Zr2Be2VFe5]
_chemical_formula_sum '[Zr4 Be4 V2 Fe10]'
_cell_volume [246.7427]
_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
[
  Zr  Zr0  4  0.1736  0.6736  0.0000  1.0
  Be  Be1  4  0.1218  0.3782  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe3  8  0.0660  0.2062  0.5000  1.0
  Fe  Fe4  2  0.0000  0.5000  0.5000  1.0
]