data_BeV2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   141.06
_cell_angle_beta   132.22
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2B
_chemical_formula_sum   'Be1 V2 B1'
_cell_volume   40.47
_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  0.36  1.0
  V  V2  1  0.0  0.8  0.74  1.0
  V  V3  1  0.0  0.0  0.02  1.0
  B  B0  1  0.0  0.8  0.24  1.0

data_BeV2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.6
_cell_length_c   4.45
_cell_angle_alpha   113.89
_cell_angle_beta   109.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2B
_chemical_formula_sum   'Be1 V2 B1'
_cell_volume   40.47
_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  0.64  0.64  0.64  1.0
  V  V1  1  0.26  0.06  0.06  1.0
  V  V2  1  0.98  0.98  0.98  1.0
  B  B3  1  0.76  0.56  0.56  1.0

Be V V B