data_[Be1V5Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9230]
_cell_length_b [2.9230]
_cell_length_c [14.0940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [BeV5Cr4]
_chemical_formula_sum '[Be1 V5 Cr4]'
_cell_volume [120.4150]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  V  V1  2  0.5000  0.5000  0.0930  1
  V  V2  2  0.5000  0.5000  0.2940  1
  V  V3  1  0.5000  0.5000  0.5000  1
  Cr  Cr4  2  0.0000  0.0000  0.1900  1
  Cr  Cr5  2  0.0000  0.0000  0.3973  1
]