# generated using pymatgen
data_Ca(HfS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86435534
_cell_length_b   7.86435426
_cell_length_c   7.86435509
_cell_angle_alpha   54.57525560
_cell_angle_beta   54.57525741
_cell_angle_gamma   54.57525415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(HfS2)4
_chemical_formula_sum   'Ca1 Hf4 S8'
_cell_volume   300.44907963
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.50000000  1.0
  Hf  Hf1  1  0.00000000  0.50000000  0.50000000  1.0
  Hf  Hf2  1  0.50000000  0.00000000  0.50000000  1.0
  Hf  Hf3  1  0.50000000  0.50000000  0.00000000  1.0
  Hf  Hf4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.25616820  0.76022120  0.76022120  1.0
  S  S6  1  0.23977880  0.23977880  0.74383180  1.0
  S  S7  1  0.74383180  0.23977880  0.23977880  1.0
  S  S8  1  0.23977880  0.74383180  0.23977880  1.0
  S  S9  1  0.26096534  0.26096534  0.26096534  1.0
  S  S10  1  0.73903466  0.73903466  0.73903466  1.0
  S  S11  1  0.76022120  0.25616820  0.76022120  1.0
  S  S12  1  0.76022120  0.76022120  0.25616820  1.0