# generated using pymatgen
data_La4Re(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48883384
_cell_length_b   5.48868549
_cell_length_c   7.92744800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Re(NiO4)3
_chemical_formula_sum   'La4 Re1 Ni3 O12'
_cell_volume   238.82612467
_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  0.50000000  -0.00000000  0.72372999  1.0
  La  La1  1  0.00000000  0.50000000  0.27626239  1.0
  La  La2  1  0.50000000  -0.00000000  0.27627001  1.0
  La  La3  1  0.00000000  0.50000000  0.72373761  1.0
  Re  Re4  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni5  1  0.00000000  -0.00000000  0.00000000  1.0
  Ni  Ni6  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.00000000  -0.00000000  0.50000000  1.0
  O  O8  1  0.00000000  -0.00000000  0.74875361  1.0
  O  O9  1  0.50000000  0.50000000  0.24825647  1.0
  O  O10  1  0.75010620  0.75010860  0.50000000  1.0
  O  O11  1  0.25400695  0.25403355  0.00000000  1.0
  O  O12  1  0.75010404  0.24989035  0.50000000  1.0
  O  O13  1  0.25400122  0.74596138  0.00000000  1.0
  O  O14  1  0.00000000  -0.00000000  0.25124639  1.0
  O  O15  1  0.50000000  0.50000000  0.75174353  1.0
  O  O16  1  0.24989380  0.24989140  0.50000000  1.0
  O  O17  1  0.74599305  0.74596645  0.00000000  1.0
  O  O18  1  0.24989596  0.75010965  0.50000000  1.0
  O  O19  1  0.74599878  0.25403862  0.00000000  1.0