# generated using pymatgen
data_Ca(ZrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89758052
_cell_length_b   7.89758032
_cell_length_c   7.89757981
_cell_angle_alpha   55.09566281
_cell_angle_beta   55.09566483
_cell_angle_gamma   55.09565598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(ZrS2)4
_chemical_formula_sum   'Ca1 Zr4 S8'
_cell_volume   308.58110693
_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
  Zr  Zr1  1  0.00000000  0.50000000  0.50000000  1.0
  Zr  Zr2  1  0.50000000  0.00000000  0.50000000  1.0
  Zr  Zr3  1  0.50000000  0.50000000  0.00000000  1.0
  Zr  Zr4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.25532202  0.75907861  0.75907861  1.0
  S  S6  1  0.24092139  0.24092139  0.74467798  1.0
  S  S7  1  0.74467798  0.24092139  0.24092139  1.0
  S  S8  1  0.24092139  0.74467798  0.24092139  1.0
  S  S9  1  0.26029366  0.26029366  0.26029366  1.0
  S  S10  1  0.73970634  0.73970634  0.73970634  1.0
  S  S11  1  0.75907861  0.25532202  0.75907861  1.0
  S  S12  1  0.75907861  0.75907861  0.25532202  1.0