# generated using pymatgen
data_CaY2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95102994
_cell_length_b   3.95102904
_cell_length_c   9.64986324
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2S3
_chemical_formula_sum   'Ca1 Y2 S3'
_cell_volume   130.45849766
_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  0.00000000  0.00000000  0.00000000  1.0
  Y  Y1  1  0.33333300  0.66666700  0.65335434  1.0
  Y  Y2  1  0.66666700  0.33333300  0.34664566  1.0
  S  S3  1  0.33333300  0.66666700  0.17193123  1.0
  S  S4  1  0.66666700  0.33333300  0.82806877  1.0
  S  S5  1  0.00000000  0.00000000  0.50000000  1.0