data_VCu2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.8
_cell_angle_alpha   114.35
_cell_angle_beta   114.35
_cell_angle_gamma   32.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2B
_chemical_formula_sum   'V1 Cu2 B1'
_cell_volume   44.44
_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
  V  V3  1  0.31  0.0  0.61  1.0
  Cu  Cu1  1  0.8  0.0  0.05  1.0
  Cu  Cu2  1  0.58  0.0  0.08  1.0
  B  B0  1  0.02  0.0  0.76  1.0

data_VCu2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.47
_cell_length_b   4.34
_cell_length_c   4.8
_cell_angle_alpha   114.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2B
_chemical_formula_sum   'V1 Cu2 B1'
_cell_volume   44.44
_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
  V  V0  1  0.0  0.69  0.39  1.0
  Cu  Cu1  1  0.0  0.2  0.95  1.0
  Cu  Cu2  1  0.0  0.42  0.92  1.0
  B  B3  1  0.0  0.98  0.24  1.0

V Cu Cu B