data_Y2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   150.09
_cell_angle_beta   146.9
_cell_angle_gamma   45.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NiB
_chemical_formula_sum   'Y2 Ni1 B1'
_cell_volume   84.63
_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  0.0  0.0  0.01  1.0
  Y  Y3  1  0.75  0.0  0.1  1.0
  Ni  Ni1  1  0.0  0.93  0.03  1.0
  B  B0  1  0.0  0.0  0.38  1.0

data_Y2NiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.86
_cell_length_c   6.78
_cell_angle_alpha   106.55
_cell_angle_beta   104.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NiB
_chemical_formula_sum   'Y2 Ni1 B1'
_cell_volume   84.63
_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  0.0  0.01  0.01  1.0
  Y  Y1  1  0.0  0.1  0.35  1.0
  Ni  Ni2  1  0.07  0.1  0.1  1.0
  B  B3  1  0.0  0.38  0.38  1.0

Y Y Ni B