data_SrNi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   5.7
_cell_angle_alpha   107.67
_cell_angle_beta   107.67
_cell_angle_gamma   56.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2B
_chemical_formula_sum   'Sr1 Ni2 B1'
_cell_volume   64.76
_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
  Sr  Sr3  1  0.36  0.0  0.68  1.0
  Ni  Ni1  1  0.29  0.0  0.95  1.0
  Ni  Ni2  1  0.43  0.0  0.41  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SrNi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.8
_cell_length_c   5.7
_cell_angle_alpha   107.67
_cell_angle_beta   90.0
_cell_angle_gamma   118.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2B
_chemical_formula_sum   'Sr1 Ni2 B1'
_cell_volume   64.76
_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
  Sr  Sr0  1  0.0  0.64  0.32  1.0
  Ni  Ni1  1  0.0  0.57  0.59  1.0
  Ni  Ni2  1  0.0  0.71  0.05  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Sr Ni Ni B
Sr Ni Ni B 0 1 o o o 0 2 o o o 1 3 o o + 