data_SrNiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   35.97
_cell_angle_beta   35.97
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiB2
_chemical_formula_sum   'Sr1 Ni1 B2'
_cell_volume   55.84
_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  0.0  0.0  0.93  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.79  1.0
  B  B1  1  0.0  0.0  0.06  1.0

data_SrNiB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   3.49
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   110.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNiB2
_chemical_formula_sum   'Sr2 Ni2 B4'
_cell_volume   111.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.07  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  B  B2  2  -0.0  0.0  0.94  1.0
  B  B3  2  0.0  0.0  0.21  1.0

Sr Ni B B