data_BeVFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46
_cell_length_b   3.75
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVFe2
_chemical_formula_sum   'Be1 V1 Fe2'
_cell_volume   41.9
_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  0.46  0.0  0.45  1.0
  V  V3  1  0.8  0.87  0.32  1.0
  Fe  Fe1  1  0.23  0.87  0.5  1.0
  Fe  Fe2  1  0.99  0.0  0.09  1.0

data_BeVFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   3.75
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVFe2
_chemical_formula_sum   'Be1 V1 Fe2'
_cell_volume   41.9
_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  0.46  0.0  0.45  1.0
  V  V1  1  0.8  0.87  0.32  1.0
  Fe  Fe2  1  0.23  0.87  0.5  1.0
  Fe  Fe3  1  0.99  0.0  0.09  1.0

Be V Fe Fe