# generated using pymatgen
data_CaCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55270808
_cell_length_b   6.55270827
_cell_length_c   6.55270871
_cell_angle_alpha   53.48778715
_cell_angle_beta   53.48778044
_cell_angle_gamma   53.48779037
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr4O8
_chemical_formula_sum   'Ca1 Cr4 O8'
_cell_volume   168.63383770
_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  0.50000000  0.50000100  0.49999900  1.0
  Cr  Cr1  1  0.50000100  0.99999900  0.50000100  1.0
  Cr  Cr2  1  0.99999900  0.50000000  0.50000100  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr4  1  0.00000000  0.00000000  0.00000000  1.0
  O  O5  1  0.76626700  0.28063700  0.76626700  1.0
  O  O6  1  0.23373200  0.23373300  0.71936300  1.0
  O  O7  1  0.23373200  0.71936400  0.23373200  1.0
  O  O8  1  0.71936200  0.23373300  0.23373300  1.0
  O  O9  1  0.27686900  0.27687000  0.27686900  1.0
  O  O10  1  0.72313100  0.72313100  0.72313100  1.0
  O  O11  1  0.28063800  0.76626800  0.76626700  1.0
  O  O12  1  0.76626800  0.76626800  0.28063700  1.0