# generated using pymatgen
data_MnCoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18632396
_cell_length_b   7.05241960
_cell_length_c   7.21451760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoB
_chemical_formula_sum   'Mn8 Co8 B8'
_cell_volume   212.99934812
_cell_formula_units_Z   8
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  0.50000000  0.33816300  0.50000000  1
  Mn  Mn1  1  0.00000000  0.16183700  0.50000000  1
  Mn  Mn2  1  0.50000000  0.83816300  0.00000000  1
  Mn  Mn3  1  0.00000000  0.66183700  0.00000000  1
  Mn  Mn4  1  0.00000000  0.33816300  0.00000000  1
  Mn  Mn5  1  0.50000000  0.16183700  0.00000000  1
  Mn  Mn6  1  0.00000000  0.83816300  0.50000000  1
  Mn  Mn7  1  0.50000000  0.66183700  0.50000000  1
  Co  Co8  1  0.50000000  0.00000000  0.66666700  1
  Co  Co9  1  0.00000000  0.50000000  0.33333300  1
  Co  Co10  1  0.50000000  0.50000000  0.16665900  1
  Co  Co11  1  0.00000000  0.00000000  0.83334100  1
  Co  Co12  1  0.00000000  0.00000000  0.16665900  1
  Co  Co13  1  0.50000000  0.50000000  0.83334100  1
  Co  Co14  1  0.00000000  0.50000000  0.66666700  1
  Co  Co15  1  0.50000000  0.00000000  0.33333300  1
  B  B16  1  0.75000000  0.25000000  0.25000000  1
  B  B17  1  0.25000000  0.25000000  0.25000000  1
  B  B18  1  0.75000000  0.75000000  0.75000000  1
  B  B19  1  0.25000000  0.75000000  0.75000000  1
  B  B20  1  0.25000000  0.25000000  0.75000000  1
  B  B21  1  0.75000000  0.25000000  0.75000000  1
  B  B22  1  0.25000000  0.75000000  0.25000000  1
  B  B23  1  0.75000000  0.75000000  0.25000000  1
