data_Y2CuB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.91
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuB
_chemical_formula_sum   'Y2 Cu1 B1'
_cell_volume   77.39
_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
  Y  Y2  1  0.68  0.0  0.73  1.0
  Y  Y3  1  0.65  0.96  0.85  1.0
  Cu  Cu1  1  0.77  0.96  0.93  1.0
  B  B0  1  0.84  0.0  0.62  1.0

data_Y2CuB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.91
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuB
_chemical_formula_sum   'Y2 Cu1 B1'
_cell_volume   77.39
_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
  Y  Y0  1  0.65  0.96  0.85  1.0
  Y  Y1  1  0.68  0.0  0.73  1.0
  Cu  Cu2  1  0.77  0.96  0.93  1.0
  B  B3  1  0.84  0.0  0.62  1.0

Y Y Cu B