data_Be2VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   2.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VFe
_chemical_formula_sum   'Be2 V1 Fe1'
_cell_volume   40.83
_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  0.19  0.8  0.19  1.0
  Be  Be1  1  0.19  0.2  0.19  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.38  0.0  0.0  1.0

data_Be2VFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.38
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   113.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VFe
_chemical_formula_sum   'Be2 V1 Fe1'
_cell_volume   40.83
_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  0.19  0.19  0.2  1.0
  Be  Be1  1  0.19  0.19  0.8  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  -0.0  0.38  0.0  1.0

Be Be V Fe
Be Be V Fe 0 3 o + o 1 2 o o o 