# generated using pymatgen
data_ThMn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38208783
_cell_length_b   6.38208783
_cell_length_c   6.38208783
_cell_angle_alpha   97.84703944
_cell_angle_beta   97.84703944
_cell_angle_gamma   136.63065273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMn12
_chemical_formula_sum   'Th1 Mn12'
_cell_volume   165.87405205
_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  0.50000000  0.00000000  1.0
  Mn  Mn2  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn3  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn4  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn5  1  0.36754700  0.00000000  0.36754700  1.0
  Mn  Mn6  1  0.00000000  0.63245300  0.63245300  1.0
  Mn  Mn7  1  0.00000000  0.36754700  0.36754700  1.0
  Mn  Mn8  1  0.63245300  0.00000000  0.63245300  1.0
  Mn  Mn9  1  0.26751600  0.50000000  0.76751600  1.0
  Mn  Mn10  1  0.50000000  0.73248400  0.23248400  1.0
  Mn  Mn11  1  0.50000000  0.26751600  0.76751600  1.0
  Mn  Mn12  1  0.73248400  0.50000000  0.23248400  1.0