data_TiBeV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   132.89
_cell_angle_beta   132.89
_cell_angle_gamma   68.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeV2
_chemical_formula_sum   'Ti1 Be1 V2'
_cell_volume   52.76
_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
  Ti  Ti1  1  0.86  0.0  0.92  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.0  0.83  1.0
  V  V3  1  0.0  0.86  0.92  1.0

data_TiBeV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   4.64
_cell_angle_alpha   113.56
_cell_angle_beta   113.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeV2
_chemical_formula_sum   'Ti1 Be1 V2'
_cell_volume   52.76
_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
  Ti  Ti0  1  0.92  0.06  0.06  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.06  0.92  0.06  1.0
  V  V3  1  0.83  0.83  0.83  1.0

Ti Be V V