# generated using pymatgen
data_Zr(MnAl)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05260700
_cell_length_b   6.49629214
_cell_length_c   6.49629214
_cell_angle_alpha   97.74902210
_cell_angle_beta   112.88506618
_cell_angle_gamma   67.11493382
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(MnAl)6
_chemical_formula_sum   'Zr1 Mn6 Al6'
_cell_volume   180.94861177
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn2  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn4  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn5  1  0.50000000  0.75998500  0.75998500  1.0
  Mn  Mn6  1  0.50000000  0.24001500  0.24001500  1.0
  Al  Al7  1  0.65616700  0.34383300  0.65616700  1.0
  Al  Al8  1  0.34383300  0.65616700  0.34383300  1.0
  Al  Al9  1  0.00000000  0.33820500  0.33820500  1.0
  Al  Al10  1  0.00000000  0.66179500  0.66179500  1.0
  Al  Al11  1  0.68825400  0.81174600  0.18825400  1.0
  Al  Al12  1  0.31174600  0.18825400  0.81174600  1.0