# generated using pymatgen
data_Mn23(BC)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38797545
_cell_length_b   7.38797545
_cell_length_c   7.38797558
_cell_angle_alpha   60.17994095
_cell_angle_beta   60.17994095
_cell_angle_gamma   60.17993914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn23(BC)3
_chemical_formula_sum   'Mn23 B3 C3'
_cell_volume   286.30406527
_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  0.37893800  0.37893800  0.37893800  1.0
  Mn  Mn1  1  0.38299500  0.38299500  0.85471600  1.0
  Mn  Mn2  1  0.85471600  0.38299500  0.38299500  1.0
  Mn  Mn3  1  0.38299500  0.85471600  0.38299500  1.0
  Mn  Mn4  1  0.61718900  0.61718900  0.61718900  1.0
  Mn  Mn5  1  0.62009300  0.62009300  0.14225900  1.0
  Mn  Mn6  1  0.14225900  0.62009300  0.62009300  1.0
  Mn  Mn7  1  0.62009300  0.14225900  0.62009300  1.0
  Mn  Mn8  1  0.00129300  0.34609500  0.00129300  1.0
  Mn  Mn9  1  0.34609500  0.00129300  0.00129300  1.0
  Mn  Mn10  1  0.00129300  0.00129300  0.34609500  1.0
  Mn  Mn11  1  0.34246400  0.99360600  0.66023500  1.0
  Mn  Mn12  1  0.99360600  0.34246400  0.66023500  1.0
  Mn  Mn13  1  0.00114400  0.00114400  0.66407400  1.0
  Mn  Mn14  1  0.66023500  0.99360600  0.34246400  1.0
  Mn  Mn15  1  0.66407400  0.00114400  0.00114400  1.0
  Mn  Mn16  1  0.66023500  0.34246400  0.99360600  1.0
  Mn  Mn17  1  0.00114400  0.66407400  0.00114400  1.0
  Mn  Mn18  1  0.99360600  0.66023500  0.34246400  1.0
  Mn  Mn19  1  0.34246400  0.66023500  0.99360600  1.0
  Mn  Mn20  1  0.00699000  0.00699000  0.00699000  1.0
  Mn  Mn21  1  0.24833500  0.24833500  0.24833500  1.0
  Mn  Mn22  1  0.74840900  0.74840900  0.74840900  1.0
  B  B23  1  0.27185900  0.72550800  0.27185900  1.0
  B  B24  1  0.72550800  0.27185900  0.27185900  1.0
  B  B25  1  0.27185900  0.27185900  0.72550800  1.0
  C  C26  1  0.72225900  0.27559100  0.72225900  1.0
  C  C27  1  0.27559100  0.72225900  0.72225900  1.0
  C  C28  1  0.72225900  0.72225900  0.27559100  1.0