# generated using pymatgen
data_CaFe4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42423057
_cell_length_b   6.44647418
_cell_length_c   6.44639501
_cell_angle_alpha   109.54899832
_cell_angle_beta   109.39821706
_cell_angle_gamma   109.39686894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe4(CuO4)3
_chemical_formula_sum   'Ca1 Fe4 Cu3 O12'
_cell_volume   205.68849060
_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  0.99999700  0.99999900  0.99999800  1.0
  Fe  Fe1  1  0.00000100  0.00000100  0.50000100  1.0
  Fe  Fe2  1  0.00000000  0.49999900  0.00000100  1.0
  Fe  Fe3  1  0.49999900  0.49999800  0.49999800  1.0
  Fe  Fe4  1  0.49999700  0.99999600  0.99999500  1.0
  Cu  Cu5  1  0.50000100  0.50000100  0.00000000  1.0
  Cu  Cu6  1  0.99999700  0.50000000  0.50000100  1.0
  Cu  Cu7  1  0.50000100  0.00000200  0.49999900  1.0
  O  O8  1  0.83326700  0.31374800  0.14383900  1.0
  O  O9  1  0.16673000  0.68625400  0.85616200  1.0
  O  O10  1  0.83033400  0.68676800  0.51866300  1.0
  O  O11  1  0.31163000  0.48131300  0.16811300  1.0
  O  O12  1  0.48054700  0.16991900  0.31380200  1.0
  O  O13  1  0.14360300  0.83195200  0.31327800  1.0
  O  O14  1  0.68936100  0.85618200  0.16991400  1.0
  O  O15  1  0.51945600  0.83008100  0.68619900  1.0
  O  O16  1  0.16966400  0.31323400  0.48133600  1.0
  O  O17  1  0.68837100  0.51868900  0.83188600  1.0
  O  O18  1  0.85640100  0.16804800  0.68672700  1.0
  O  O19  1  0.31063800  0.14381700  0.83008600  1.0