data_SrMn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   134.34
_cell_angle_beta   110.06
_cell_angle_gamma   87.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2B
_chemical_formula_sum   'Sr1 Mn2 B1'
_cell_volume   79.29
_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  0.93  0.0  0.47  1.0
  Mn  Mn1  1  0.93  0.0  0.34  1.0
  Mn  Mn2  1  0.0  0.0  1.0  1.0
  B  B0  1  0.0  0.0  0.98  1.0

data_SrMn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   69.94
_cell_angle_beta   67.17
_cell_angle_gamma   67.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2B
_chemical_formula_sum   'Sr1 Mn2 B1'
_cell_volume   79.29
_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  0.53  0.93  0.53  1.0
  Mn  Mn1  1  0.41  0.93  0.66  1.0
  Mn  Mn2  1  1.0  0.0  0.0  1.0
  B  B3  1  0.98  -0.0  0.02  1.0

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