data_MnB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.04
_cell_length_c   4.04
_cell_angle_alpha   40.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB2Os
_chemical_formula_sum   'Mn1 B2 Os1'
_cell_volume   36.76
_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
  Mn  Mn2  1  0.0  0.0  0.88  1.0
  B  B0  1  0.73  0.0  0.21  1.0
  B  B1  1  0.0  0.0  0.08  1.0
  Os  Os3  1  0.73  0.0  0.77  1.0

data_MnB2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.45
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB2Os
_chemical_formula_sum   'Mn1 B2 Os1'
_cell_volume   36.76
_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
  Mn  Mn0  1  0.12  0.0  0.12  1.0
  B  B1  1  0.79  0.73  0.79  1.0
  B  B2  1  0.92  0.0  0.92  1.0
  Os  Os3  1  0.23  0.73  0.23  1.0

Mn B B Os