# generated using pymatgen
data_Nd5Sn3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37445282
_cell_length_b   9.37445280
_cell_length_c   6.92873602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999658
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Sn3S
_chemical_formula_sum   'Nd10 Sn6 S2'
_cell_volume   527.32275943
_cell_formula_units_Z   2
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  0.75579906  0.75579906  0.75000000  1.0
  Nd  Nd1  1  0.24420094  0.00000000  0.75000000  1.0
  Nd  Nd2  1  0.00000000  0.24420094  0.75000000  1.0
  Nd  Nd3  1  0.24420094  0.24420094  0.25000000  1.0
  Nd  Nd4  1  0.75579906  1.00000000  0.25000000  1.0
  Nd  Nd5  1  0.00000000  0.75579906  0.25000000  1.0
  Nd  Nd6  1  0.66666700  0.33333300  0.00000000  1.0
  Nd  Nd7  1  0.33333300  0.66666700  0.00000000  1.0
  Nd  Nd8  1  0.33333300  0.66666700  0.50000000  1.0
  Nd  Nd9  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn10  1  0.39668132  0.39668132  0.75000000  1.0
  Sn  Sn11  1  0.60331868  0.00000000  0.75000000  1.0
  Sn  Sn12  1  0.00000000  0.60331868  0.75000000  1.0
  Sn  Sn13  1  0.60331868  0.60331868  0.25000000  1.0
  Sn  Sn14  1  0.39668132  1.00000000  0.25000000  1.0
  Sn  Sn15  1  1.00000000  0.39668132  0.25000000  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.50000000  1.0