# generated using pymatgen
data_NdMnRuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60899125
_cell_length_b   7.74122649
_cell_length_c   8.85396675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdMnRuO5
_chemical_formula_sum   'Nd4 Mn4 Ru4 O20'
_cell_volume   384.44341269
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.00000000  0.35415176  0.67364172  1.0
  Nd  Nd1  1  0.00000000  0.64584824  0.32635828  1.0
  Nd  Nd2  1  0.00000000  0.85415176  0.82635828  1.0
  Nd  Nd3  1  0.00000000  0.14584824  0.17364172  1.0
  Mn  Mn4  1  0.50000000  0.08193381  0.85475189  1.0
  Mn  Mn5  1  0.50000000  0.91806619  0.14524811  1.0
  Mn  Mn6  1  0.50000000  0.58193381  0.64524811  1.0
  Mn  Mn7  1  0.50000000  0.41806619  0.35475189  1.0
  Ru  Ru8  1  0.28085080  0.50000000  0.00000000  1.0
  Ru  Ru9  1  0.71914920  0.00000000  0.50000000  1.0
  Ru  Ru10  1  0.71914920  0.50000000  0.00000000  1.0
  Ru  Ru11  1  0.28085080  0.00000000  0.50000000  1.0
  O  O12  1  0.25318715  0.90461918  0.28778554  1.0
  O  O13  1  0.25318715  0.09538082  0.71221446  1.0
  O  O14  1  0.74681285  0.40461918  0.21221446  1.0
  O  O15  1  0.74681285  0.59538082  0.78778554  1.0
  O  O16  1  0.74681285  0.09538082  0.71221446  1.0
  O  O17  1  0.74681285  0.90461918  0.28778554  1.0
  O  O18  1  0.25318715  0.59538082  0.78778554  1.0
  O  O19  1  0.25318715  0.40461918  0.21221446  1.0
  O  O20  1  0.50000000  0.32600975  0.92375803  1.0
  O  O21  1  0.50000000  0.67399025  0.07624197  1.0
  O  O22  1  0.50000000  0.82600975  0.57624197  1.0
  O  O23  1  0.50000000  0.17399025  0.42375803  1.0
  O  O24  1  0.26934669  0.00000000  0.00000000  1.0
  O  O25  1  0.73065331  0.50000000  0.50000000  1.0
  O  O26  1  0.73065331  0.00000000  0.00000000  1.0
  O  O27  1  0.26934669  0.50000000  0.50000000  1.0
  O  O28  1  0.00000000  0.15482030  0.44905844  1.0
  O  O29  1  0.00000000  0.84517970  0.55094156  1.0
  O  O30  1  0.00000000  0.65482030  0.05094156  1.0
  O  O31  1  0.00000000  0.34517970  0.94905844  1.0