# generated using pymatgen
data_Nd3AlNiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01488763
_cell_length_b   10.01488763
_cell_length_c   6.02138600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3AlNiS7
_chemical_formula_sum   'Nd6 Al2 Ni2 S14'
_cell_volume   523.02117558
_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  0.14043900  0.37222200  0.22912000  1.0
  Nd  Nd1  1  0.85956100  0.62777800  0.72912000  1.0
  Nd  Nd2  1  0.62777800  0.76821700  0.22912000  1.0
  Nd  Nd3  1  0.23178300  0.85956100  0.22912000  1.0
  Nd  Nd4  1  0.76821700  0.14043900  0.72912000  1.0
  Nd  Nd5  1  0.37222200  0.23178300  0.72912000  1.0
  Al  Al6  1  0.33333300  0.66666700  0.65211100  1.0
  Al  Al7  1  0.66666700  0.33333300  0.15211100  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.00415300  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.50415300  1.0
  S  S10  1  0.33333300  0.66666700  0.02128600  1.0
  S  S11  1  0.66666700  0.33333300  0.52128600  1.0
  S  S12  1  0.42000100  0.51757700  0.50354100  1.0
  S  S13  1  0.57999900  0.48242300  0.00354100  1.0
  S  S14  1  0.48242300  0.90242400  0.50354100  1.0
  S  S15  1  0.09757600  0.57999900  0.50354100  1.0
  S  S16  1  0.90242400  0.42000100  0.00354100  1.0
  S  S17  1  0.51757700  0.09757600  0.00354100  1.0
  S  S18  1  0.08702600  0.22771700  0.76880900  1.0
  S  S19  1  0.91297400  0.77228300  0.26880900  1.0
  S  S20  1  0.77228300  0.85930900  0.76880900  1.0
  S  S21  1  0.14069100  0.91297400  0.76880900  1.0
  S  S22  1  0.85930900  0.08702600  0.26880900  1.0
  S  S23  1  0.22771700  0.14069100  0.26880900  1.0