data_TiBeV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   145.37
_cell_angle_beta   138.07
_cell_angle_gamma   55.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeV
_chemical_formula_sum   'Ti1 Be1 V1'
_cell_volume   39.12
_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  0.0  0.0  0.5  1.0
  Be  Be0  1  0.0  0.0  0.26  1.0
  V  V2  1  0.0  0.0  0.87  1.0

data_TiBeV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.36
_cell_length_c   4.7
_cell_angle_alpha   110.96
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeV
_chemical_formula_sum   'Ti1 Be1 V1'
_cell_volume   39.12
_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  0.5  0.5  0.5  1.0
  Be  Be1  1  0.74  0.74  0.74  1.0
  V  V2  1  0.13  0.13  0.13  1.0

Ti Be V
Ti Be V 0 1 o o o 0 2 o o o 1 2 o o - 