# generated using pymatgen
data_Ca2AlCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30152880
_cell_length_b   8.30152880
_cell_length_c   8.30152880
_cell_angle_alpha   142.94941088
_cell_angle_beta   140.39293728
_cell_angle_gamma   55.35162693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlCuO5
_chemical_formula_sum   'Ca4 Al2 Cu2 O10'
_cell_volume   218.14939982
_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  0.42079000  0.90026300  0.53706100  1.0
  Ca  Ca1  1  0.13679800  0.61627100  0.53706100  1.0
  Ca  Ca2  1  0.57921000  0.11627100  0.47947300  1.0
  Ca  Ca3  1  0.86320200  0.40026300  0.47947300  1.0
  Al  Al4  1  0.82709100  0.78889200  0.11598200  1.0
  Al  Al5  1  0.17290900  0.28889200  0.96180100  1.0
  Cu  Cu6  1  0.50000000  0.49798700  0.99798700  1.0
  Cu  Cu7  1  0.00000000  0.99798700  0.99798700  1.0
  O  O8  1  0.89261400  0.12380500  0.51641900  1.0
  O  O9  1  0.10738600  0.62380500  0.23119100  1.0
  O  O10  1  0.42475800  0.31855700  0.03745500  1.0
  O  O11  1  0.57524200  0.61269600  0.89379800  1.0
  O  O12  1  0.78110200  0.81855700  0.89379800  1.0
  O  O13  1  0.21889800  0.11269600  0.03745500  1.0
  O  O14  1  0.76898100  0.26620900  0.00159900  1.0
  O  O15  1  0.23101900  0.23261800  0.49722800  1.0
  O  O16  1  0.23538900  0.73261800  0.00159900  1.0
  O  O17  1  0.76461100  0.76620900  0.49722800  1.0