# generated using pymatgen
data_Nd(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53125216
_cell_length_b   6.53122501
_cell_length_c   6.53125010
_cell_angle_alpha   89.08896848
_cell_angle_beta   89.08813714
_cell_angle_gamma   89.08921135
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(Mo3S4)2
_chemical_formula_sum   'Nd1 Mo6 S8'
_cell_volume   278.49944852
_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
  Nd  Nd0  1  -0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo1  1  0.77087396  0.58014409  0.43783222  1.0
  Mo  Mo2  1  0.43783655  0.77087627  0.58014183  1.0
  Mo  Mo3  1  0.58014174  0.43784497  0.77088856  1.0
  Mo  Mo4  1  0.22912604  0.41985591  0.56216778  1.0
  Mo  Mo5  1  0.56216345  0.22912373  0.41985817  1.0
  Mo  Mo6  1  0.41985826  0.56215503  0.22911144  1.0
  S  S7  1  0.75690539  0.75691565  0.75691015  1.0
  S  S8  1  0.24309461  0.24308435  0.24308985  1.0
  S  S9  1  0.25167162  0.62571123  0.87424685  1.0
  S  S10  1  0.87422959  0.25166764  0.62572801  1.0
  S  S11  1  0.62571652  0.87422711  0.25165398  1.0
  S  S12  1  0.74832838  0.37428877  0.12575315  1.0
  S  S13  1  0.12577041  0.74833236  0.37427199  1.0
  S  S14  1  0.37428348  0.12577289  0.74834602  1.0