# generated using pymatgen
data_La4NiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93314619
_cell_length_b   9.93314619
_cell_length_c   7.06582500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4NiS7
_chemical_formula_sum   'La8 Ni2 S14'
_cell_volume   603.76392158
_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
  La  La0  1  0.62851500  0.84996300  0.27629000  1.0
  La  La1  1  0.15003700  0.77855200  0.27629000  1.0
  La  La2  1  0.22144800  0.37148500  0.27629000  1.0
  La  La3  1  0.37148500  0.15003700  0.77629000  1.0
  La  La4  1  0.84996300  0.22144800  0.77629000  1.0
  La  La5  1  0.77855200  0.62851500  0.77629000  1.0
  La  La6  1  0.33333300  0.66666700  0.81263100  1.0
  La  La7  1  0.66666700  0.33333300  0.31263100  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.49603000  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.99603000  1.0
  S  S10  1  0.77412800  0.90412100  0.66261200  1.0
  S  S11  1  0.09587900  0.87000700  0.66261200  1.0
  S  S12  1  0.12999300  0.22587200  0.66261200  1.0
  S  S13  1  0.22587200  0.09587900  0.16261200  1.0
  S  S14  1  0.90412100  0.12999300  0.16261200  1.0
  S  S15  1  0.87000700  0.77412800  0.16261200  1.0
  S  S16  1  0.48989900  0.56379000  0.03321300  1.0
  S  S17  1  0.43621000  0.92610900  0.03321300  1.0
  S  S18  1  0.07389100  0.51010100  0.03321300  1.0
  S  S19  1  0.51010100  0.43621000  0.53321300  1.0
  S  S20  1  0.56379000  0.07389100  0.53321300  1.0
  S  S21  1  0.92610900  0.48989900  0.53321300  1.0
  S  S22  1  0.33333300  0.66666700  0.42867400  1.0
  S  S23  1  0.66666700  0.33333300  0.92867400  1.0