# generated using pymatgen
data_Nd3GaNiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86939853
_cell_length_b   9.86939853
_cell_length_c   6.20163300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3GaNiS7
_chemical_formula_sum   'Nd6 Ga2 Ni2 S14'
_cell_volume   523.14014780
_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  0.84734800  0.62605000  0.68018200  1.0
  Nd  Nd1  1  0.77870200  0.15265200  0.68018200  1.0
  Nd  Nd2  1  0.37395000  0.22129800  0.68018200  1.0
  Nd  Nd3  1  0.15265200  0.37395000  0.18018200  1.0
  Nd  Nd4  1  0.22129800  0.84734800  0.18018200  1.0
  Nd  Nd5  1  0.62605000  0.77870200  0.18018200  1.0
  Ga  Ga6  1  0.33333300  0.66666700  0.60551600  1.0
  Ga  Ga7  1  0.66666700  0.33333300  0.10551600  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.99266400  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.49266400  1.0
  S  S10  1  0.56929800  0.47956200  0.95582300  1.0
  S  S11  1  0.91026400  0.43070200  0.95582300  1.0
  S  S12  1  0.52043800  0.08973600  0.95582300  1.0
  S  S13  1  0.43070200  0.52043800  0.45582300  1.0
  S  S14  1  0.08973600  0.56929800  0.45582300  1.0
  S  S15  1  0.47956200  0.91026400  0.45582300  1.0
  S  S16  1  0.33333300  0.66666700  0.97011000  1.0
  S  S17  1  0.66666700  0.33333300  0.47011000  1.0
  S  S18  1  0.13205300  0.90611300  0.75543600  1.0
  S  S19  1  0.77406000  0.86794700  0.75543600  1.0
  S  S20  1  0.09388700  0.22594000  0.75543600  1.0
  S  S21  1  0.86794700  0.09388700  0.25543600  1.0
  S  S22  1  0.22594000  0.13205300  0.25543600  1.0
  S  S23  1  0.90611300  0.77406000  0.25543600  1.0