data_BeAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   142.74
_cell_angle_beta   128.31
_cell_angle_gamma   65.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlV2
_chemical_formula_sum   'Be1 Al1 V2'
_cell_volume   50.93
_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  Be1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.08  0.14  1.0
  V  V2  1  0.0  0.08  0.97  1.0
  V  V3  1  0.0  0.0  0.93  1.0

data_BeAlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.16
_cell_length_c   4.77
_cell_angle_alpha   115.85
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlV2
_chemical_formula_sum   'Be1 Al1 V2'
_cell_volume   50.93
_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  1.0  1.0  1.0  1.0
  Al  Al1  1  0.86  0.94  0.94  1.0
  V  V2  1  0.03  0.11  0.11  1.0
  V  V3  1  0.07  0.07  0.07  1.0

Be Al V V