# generated using pymatgen
data_Ta9BeNiS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.03527830
_cell_length_b   10.03527808
_cell_length_c   3.41644170
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta9BeNiS6
_chemical_formula_sum   'Ta9 Be1 Ni1 S6'
_cell_volume   297.96378965
_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
  Ta  Ta0  1  0.55267721  0.54258870  0.00000000  1.0
  Ta  Ta1  1  0.45741130  0.01008651  0.00000000  1.0
  Ta  Ta2  1  0.98991349  0.44732279  0.00000000  1.0
  Ta  Ta3  1  0.80100890  0.53443799  0.50000000  1.0
  Ta  Ta4  1  0.46556201  0.26656991  0.50000000  1.0
  Ta  Ta5  1  0.73343009  0.19899110  0.50000000  1.0
  Ta  Ta6  1  0.53729643  0.80563072  0.50000000  1.0
  Ta  Ta7  1  0.26833329  0.46270357  0.50000000  1.0
  Ta  Ta8  1  0.19436928  0.73166671  0.50000000  1.0
  Be  Be9  1  0.66666700  0.33333300  0.00000000  1.0
  Ni  Ni10  1  0.33333300  0.66666700  0.00000000  1.0
  S  S11  1  0.73078564  0.73194208  0.50000000  1.0
  S  S12  1  0.26805792  0.99884256  0.50000000  1.0
  S  S13  1  0.00115744  0.26921436  0.50000000  1.0
  S  S14  1  0.29678306  0.29504871  0.00000000  1.0
  S  S15  1  0.70495129  0.00173435  0.00000000  1.0
  S  S16  1  0.99826565  0.70321694  0.00000000  1.0