# generated using pymatgen
data_Nd3ReO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65585922
_cell_length_b   6.65585922
_cell_length_c   7.64542500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.18180066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ReO7
_chemical_formula_sum   'Nd6 Re2 O14'
_cell_volume   315.81309955
_cell_formula_units_Z   2
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  0.02477400  0.57787800  0.25000000  1.0
  Nd  Nd1  1  0.97522600  0.42212200  0.75000000  1.0
  Nd  Nd2  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd3  1  0.50000000  0.50000000  0.00000000  1.0
  Nd  Nd4  1  0.42212200  0.97522600  0.75000000  1.0
  Nd  Nd5  1  0.57787800  0.02477400  0.25000000  1.0
  Re  Re6  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re7  1  0.00000000  0.00000000  0.50000000  1.0
  O  O8  1  0.60726900  0.34418200  0.75000000  1.0
  O  O9  1  0.39273100  0.65581800  0.25000000  1.0
  O  O10  1  0.34418200  0.60726900  0.75000000  1.0
  O  O11  1  0.65581800  0.39273100  0.25000000  1.0
  O  O12  1  0.31142100  0.05967200  0.03716600  1.0
  O  O13  1  0.68857900  0.94032800  0.53716600  1.0
  O  O14  1  0.05967200  0.31142100  0.46283400  1.0
  O  O15  1  0.94032800  0.68857900  0.96283400  1.0
  O  O16  1  0.92169300  0.92169300  0.25000000  1.0
  O  O17  1  0.07830700  0.07830700  0.75000000  1.0
  O  O18  1  0.05967200  0.31142100  0.03716600  1.0
  O  O19  1  0.94032800  0.68857900  0.53716600  1.0
  O  O20  1  0.31142100  0.05967200  0.46283400  1.0
  O  O21  1  0.68857900  0.94032800  0.96283400  1.0