# generated using pymatgen
data_Ca2AlClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10205700
_cell_length_b   6.10862510
_cell_length_c   7.02516977
_cell_angle_alpha   89.31134632
_cell_angle_beta   115.62750700
_cell_angle_gamma   119.86434796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlClO8
_chemical_formula_sum   'Ca2 Al1 Cl1 O8'
_cell_volume   197.70468743
_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  0.60919300  0.30539700  0.91318300  1.0
  Ca  Ca1  1  0.39080700  0.69460300  0.08681700  1.0
  Al  Al2  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl3  1  0.00000000  0.50000000  0.50000000  1.0
  O  O4  1  0.18220400  0.92434800  0.88091400  1.0
  O  O5  1  0.62361300  0.70457600  0.87900600  1.0
  O  O6  1  0.96122000  0.26051500  0.88098200  1.0
  O  O7  1  0.81779600  0.07565200  0.11908600  1.0
  O  O8  1  0.37638700  0.29542400  0.12099400  1.0
  O  O9  1  0.03878000  0.73948500  0.11901800  1.0
  O  O10  1  0.32742500  0.16101800  0.51075400  1.0
  O  O11  1  0.67257500  0.83898200  0.48924600  1.0