# generated using pymatgen
data_Ba2ZrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98920028
_cell_length_b   4.98919879
_cell_length_c   8.68882097
_cell_angle_alpha   106.68469605
_cell_angle_beta   106.68469257
_cell_angle_gamma   89.99999997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrS4
_chemical_formula_sum   'Ba2 Zr1 S4'
_cell_volume   197.65268536
_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
  Ba  Ba0  1  0.64183805  0.64183805  0.28367810  1.0
  Ba  Ba1  1  0.35816195  0.35816195  0.71632190  1.0
  Zr  Zr2  1  -0.00000000  -0.00000000  -0.00000000  1.0
  S  S3  1  -0.00000000  0.50000000  -0.00000000  1.0
  S  S4  1  0.50000000  -0.00000000  -0.00000000  1.0
  S  S5  1  0.83733927  0.83733927  0.67468054  1.0
  S  S6  1  0.16266073  0.16266073  0.32531946  1.0