# generated using pymatgen
data_CaAl3PSO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84947699
_cell_length_b   6.84947699
_cell_length_c   6.84947614
_cell_angle_alpha   61.00442018
_cell_angle_beta   61.00442018
_cell_angle_gamma   61.00442047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl3PSO14
_chemical_formula_sum   'Ca1 Al3 P1 S1 O14'
_cell_volume   232.36625672
_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  0.00021200  0.00021200  0.00021200  1.0
  Al  Al1  1  0.99797400  0.99797400  0.50112400  1.0
  Al  Al2  1  0.50112400  0.99797400  0.99797400  1.0
  Al  Al3  1  0.99797400  0.50112400  0.99797400  1.0
  P  P4  1  0.68589000  0.68589000  0.68589000  1.0
  S  S5  1  0.31479900  0.31479900  0.31479900  1.0
  O  O6  1  0.83967200  0.83967200  0.47753600  1.0
  O  O7  1  0.47753600  0.83967200  0.83967200  1.0
  O  O8  1  0.83967200  0.47753600  0.83967200  1.0
  O  O9  1  0.16492500  0.16492500  0.51488300  1.0
  O  O10  1  0.51488300  0.16492500  0.16492500  1.0
  O  O11  1  0.16492500  0.51488300  0.16492500  1.0
  O  O12  1  0.59310400  0.59310400  0.59310400  1.0
  O  O13  1  0.40127600  0.40127600  0.40127600  1.0
  O  O14  1  0.75236300  0.75236300  0.09260400  1.0
  O  O15  1  0.09260400  0.75236300  0.75236300  1.0
  O  O16  1  0.75236300  0.09260400  0.75236300  1.0
  O  O17  1  0.24927100  0.24927100  0.91016100  1.0
  O  O18  1  0.91016100  0.24927100  0.24927100  1.0
  O  O19  1  0.24927100  0.91016100  0.24927100  1.0