# generated using pymatgen
data_CaCo2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19230100
_cell_length_b   5.84401300
_cell_length_c   13.11868100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2S5
_chemical_formula_sum   'Ca2 Co4 S10'
_cell_volume   321.40586814
_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  0.11924600  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.88075400  0.50000000  1.0
  Co  Co2  1  0.00000000  0.59136700  0.84604200  1.0
  Co  Co3  1  0.50000000  0.40863300  0.65395800  1.0
  Co  Co4  1  0.50000000  0.40863300  0.34604200  1.0
  Co  Co5  1  0.00000000  0.59136700  0.15395800  1.0
  S  S6  1  0.50000000  0.54482700  0.50000000  1.0
  S  S7  1  0.00000000  0.45517300  0.00000000  1.0
  S  S8  1  0.50000000  0.47009600  0.81894600  1.0
  S  S9  1  0.00000000  0.52990400  0.68105400  1.0
  S  S10  1  0.50000000  0.47009600  0.18105400  1.0
  S  S11  1  0.00000000  0.52990400  0.31894600  1.0
  S  S12  1  0.00000000  0.94325200  0.12084500  1.0
  S  S13  1  0.50000000  0.05674800  0.37915500  1.0
  S  S14  1  0.50000000  0.05674800  0.62084500  1.0
  S  S15  1  0.00000000  0.94325200  0.87915500  1.0