data_[Be5V1Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.5947]
_cell_length_b [2.5947]
_cell_length_c [13.7232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Be5VNi4]
_chemical_formula_sum '[Be5 V1 Ni4]'
_cell_volume [92.3927]
_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  2  0.5000  0.5000  0.1214  1.0
  Be  Be1  2  0.5000  0.5000  0.3086  1.0
  Be  Be2  1  0.5000  0.5000  0.5000  1.0
  V  V3  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  2  0.0000  0.0000  0.2140  1.0
  Ni  Ni5  2  0.0000  0.0000  0.4045  1.0
]