# generated using pymatgen
data_Nd2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93006086
_cell_length_b   6.82410180
_cell_length_c   3.94917947
_cell_angle_alpha   73.04021665
_cell_angle_beta   89.99896700
_cell_angle_gamma   106.59871204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2NiO4
_chemical_formula_sum   'Nd2 Ni1 O4'
_cell_volume   96.68362931
_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
  Nd  Nd0  1  0.64825700  0.30188000  0.34958500  1.0
  Nd  Nd1  1  0.34711300  0.70219600  0.64768900  1.0
  Ni  Ni2  1  0.99665100  0.00092300  0.99771600  1.0
  O  O3  1  0.49665000  0.00160200  0.99467500  1.0
  O  O4  1  0.74707100  0.50047500  0.74901900  1.0
  O  O5  1  0.99512400  0.00096800  0.49711000  1.0
  O  O6  1  0.24788200  0.50330600  0.24799300  1.0