# generated using pymatgen
data_ThMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34255445
_cell_length_b   5.34255445
_cell_length_c   8.46999500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMn2
_chemical_formula_sum   'Th4 Mn8'
_cell_volume   209.36866072
_cell_formula_units_Z   4
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  0.33333300  0.66666700  0.43918100  1.0
  Th  Th1  1  0.66666700  0.33333300  0.56081900  1.0
  Th  Th2  1  0.66666700  0.33333300  0.93918100  1.0
  Th  Th3  1  0.33333300  0.66666700  0.06081900  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn5  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn6  1  0.83988600  0.16011400  0.25000000  1.0
  Mn  Mn7  1  0.83988600  0.67977200  0.25000000  1.0
  Mn  Mn8  1  0.32022800  0.16011400  0.25000000  1.0
  Mn  Mn9  1  0.16011400  0.83988600  0.75000000  1.0
  Mn  Mn10  1  0.16011400  0.32022800  0.75000000  1.0
  Mn  Mn11  1  0.67977200  0.83988600  0.75000000  1.0