# generated using pymatgen
data_CaNi2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92711800
_cell_length_b   6.83794900
_cell_length_c   13.11459900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2S5
_chemical_formula_sum   'Ca2 Ni4 S10'
_cell_volume   352.17200034
_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
  Ca  Ca0  1  0.50000000  0.62061100  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.37938900  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.05506600  0.85123500  1.0
  Ni  Ni3  1  0.50000000  0.94493400  0.64876500  1.0
  Ni  Ni4  1  0.50000000  0.94493400  0.35123500  1.0
  Ni  Ni5  1  0.00000000  0.05506600  0.14876500  1.0
  S  S6  1  0.50000000  0.09280700  0.50000000  1.0
  S  S7  1  0.00000000  0.90719300  0.00000000  1.0
  S  S8  1  0.50000000  0.90448400  0.81495000  1.0
  S  S9  1  0.00000000  0.09551600  0.68505000  1.0
  S  S10  1  0.50000000  0.90448400  0.18505000  1.0
  S  S11  1  0.00000000  0.09551600  0.31495000  1.0
  S  S12  1  0.00000000  0.35858700  0.07987900  1.0
  S  S13  1  0.50000000  0.64141300  0.42012100  1.0
  S  S14  1  0.50000000  0.64141300  0.57987900  1.0
  S  S15  1  0.00000000  0.35858700  0.92012100  1.0