# generated using pymatgen
data_Th(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95660900
_cell_length_b   6.75705496
_cell_length_c   6.75705496
_cell_angle_alpha   82.26900284
_cell_angle_beta   68.48327508
_cell_angle_gamma   68.48327508
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(MnAl2)4
_chemical_formula_sum   'Th1 Mn4 Al8'
_cell_volume   195.86437528
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn2  1  0.50000000  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
  Al  Al5  1  0.00000000  0.34547900  0.65452100  1.0
  Al  Al6  1  0.00000000  0.65452100  0.34547900  1.0
  Al  Al7  1  0.65452100  0.34547900  0.34547900  1.0
  Al  Al8  1  0.34547900  0.65452100  0.65452100  1.0
  Al  Al9  1  0.50000000  0.77701300  0.22298700  1.0
  Al  Al10  1  0.50000000  0.22298700  0.77701300  1.0
  Al  Al11  1  0.72298700  0.77701300  0.77701300  1.0
  Al  Al12  1  0.27701300  0.22298700  0.22298700  1.0