# generated using pymatgen
data_BaCSNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68979500
_cell_length_b   5.91308600
_cell_length_c   8.90497720
_cell_angle_alpha   81.28905267
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCSNCl
_chemical_formula_sum   'Ba2 C2 S2 N2 Cl2'
_cell_volume   244.09683515
_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
  Ba  Ba0  1  0.25000000  0.21010300  0.69858900  1.0
  Ba  Ba1  1  0.75000000  0.78989700  0.30141100  1.0
  C  C2  1  0.75000000  0.60606300  0.84561600  1.0
  C  C3  1  0.25000000  0.39393700  0.15438400  1.0
  S  S4  1  0.25000000  0.14014400  0.10389600  1.0
  S  S5  1  0.75000000  0.85985600  0.89610400  1.0
  N  N6  1  0.75000000  0.42098900  0.80904800  1.0
  N  N7  1  0.25000000  0.57901100  0.19095200  1.0
  Cl  Cl8  1  0.75000000  0.25217400  0.45163200  1.0
  Cl  Cl9  1  0.25000000  0.74782600  0.54836800  1.0