# generated using pymatgen
data_LaFe4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50282367
_cell_length_b   6.50283061
_cell_length_c   6.50282366
_cell_angle_alpha   70.52023313
_cell_angle_beta   70.63494491
_cell_angle_gamma   109.56921742
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe4(CuO4)3
_chemical_formula_sum   'La1 Fe4 Cu3 O12'
_cell_volume   211.68078778
_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
  La  La0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe3  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu7  1  0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.14431300  0.83282800  0.68851600  1.0
  O  O9  1  0.47865700  0.16717300  0.68851500  1.0
  O  O10  1  0.52134300  0.83282700  0.31148500  1.0
  O  O11  1  0.85568700  0.16717200  0.31148400  1.0
  O  O12  1  0.68790600  0.85442700  0.83347800  1.0
  O  O13  1  0.68790600  0.52138300  0.16652300  1.0
  O  O14  1  0.31209400  0.47861700  0.83347700  1.0
  O  O15  1  0.31209400  0.14557300  0.16652200  1.0
  O  O16  1  0.16724700  0.31150800  0.52124600  1.0
  O  O17  1  0.83275500  0.31150800  0.85573700  1.0
  O  O18  1  0.16724500  0.68849200  0.14426300  1.0
  O  O19  1  0.83275300  0.68849200  0.47875400  1.0