# generated using pymatgen
data_LuTh(MnI)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13051914
_cell_length_b   4.13051983
_cell_length_c   12.56651767
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuTh(MnI)2
_chemical_formula_sum   'Lu1 Th1 Mn2 I2'
_cell_volume   185.67561609
_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
  Lu  Lu0  1  0.00000000  0.00000000  0.83964522  1.0
  Th  Th1  1  0.00000000  0.00000000  0.15833932  1.0
  Mn  Mn2  1  0.66666600  0.33333200  0.99509659  1.0
  Mn  Mn3  1  0.33333400  0.66666700  0.98858058  1.0
  I  I4  1  0.33333400  0.66666700  0.34045023  1.0
  I  I5  1  0.66666600  0.33333200  0.67788806  1.0