data_MgMn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2B
_chemical_formula_sum   'Mg1 Mn2 B1'
_cell_volume   45.34
_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
  Mg  Mg1  1  0.0  0.0  0.57  1.0
  Mn  Mn2  1  0.51  0.0  0.82  1.0
  Mn  Mn3  1  0.51  0.0  0.32  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_MgMn2B
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.59
_cell_length_b   7.14
_cell_length_c   2.59
_cell_angle_alpha   90.0
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MgMn2B
_chemical_formula_sum   'Mg1 Mn2 B1'
_cell_volume   45.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mg  Mg0  1  0.0  0.43  0.0  1.0
  Mn  Mn1  1  0.5  0.18  0.0  1.0
  Mn  Mn2  1  0.5  0.68  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Mg Mn Mn B