# generated using pymatgen
data_Mn3Cr3B8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95455700
_cell_length_b   2.94757000
_cell_length_c   12.93342600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr3B8
_chemical_formula_sum   'Mn3 Cr3 B8'
_cell_volume   112.63414927
_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  0.00000000  0.00000000  0.81397700  1.0
  Mn  Mn1  1  0.50000000  0.00000000  0.00101700  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.50052100  1.0
  Cr  Cr3  1  0.00000000  0.00000000  0.18582100  1.0
  Cr  Cr4  1  0.50000000  0.50000000  0.68593200  1.0
  Cr  Cr5  1  0.50000000  0.50000000  0.31385000  1.0
  B  B6  1  0.50000000  0.00000000  0.43414900  1.0
  B  B7  1  0.00000000  0.50000000  0.93274300  1.0
  B  B8  1  0.00000000  0.50000000  0.06555800  1.0
  B  B9  1  0.50000000  0.00000000  0.56682200  1.0
  B  B10  1  0.00000000  0.00000000  0.35999000  1.0
  B  B11  1  0.50000000  0.50000000  0.85816100  1.0
  B  B12  1  0.50000000  0.50000000  0.13984500  1.0
  B  B13  1  0.00000000  0.00000000  0.64161400  1.0