# generated using pymatgen
data_Ca4As2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54608859
_cell_length_b   4.54608904
_cell_length_c   8.34704094
_cell_angle_alpha   105.80220579
_cell_angle_beta   105.80220121
_cell_angle_gamma   90.00000398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4As2O
_chemical_formula_sum   'Ca4 As2 O1'
_cell_volume   159.20191507
_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  0.67139680  0.67139680  0.34279360  1.0
  Ca  Ca1  1  0.32860320  0.32860320  0.65720640  1.0
  Ca  Ca2  1  0.50000000  -0.00000000  -0.00000000  1.0
  Ca  Ca3  1  -0.00000000  0.50000000  -0.00000000  1.0
  As  As4  1  0.86314396  0.86314396  0.72628793  1.0
  As  As5  1  0.13685604  0.13685604  0.27371207  1.0
  O  O6  1  0.50000000  0.50000000  -0.00000000  1.0