data_SrMnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   140.95
_cell_angle_beta   140.95
_cell_angle_gamma   56.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnB2
_chemical_formula_sum   'Sr1 Mn1 B2'
_cell_volume   59.51
_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  0.78  0.35  1.0
  Mn  Mn2  1  0.0  0.0  0.69  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.78  0.0  0.35  1.0

data_SrMnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   5.33
_cell_angle_alpha   109.53
_cell_angle_beta   109.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnB2
_chemical_formula_sum   'Sr1 Mn1 B2'
_cell_volume   59.51
_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  0.57  0.35  0.57  1.0
  Mn  Mn1  1  0.69  0.69  0.69  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.35  0.57  0.57  1.0

Sr Mn B B
Sr Mn B B 0 1 o + o 0 3 - + o 1 3 - o o 1 2 o o + 