# generated using pymatgen
data_Nd2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83476837
_cell_length_b   6.83476837
_cell_length_c   6.83476837
_cell_angle_alpha   147.16389875
_cell_angle_beta   147.16389875
_cell_angle_gamma   47.12116452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2CoO4
_chemical_formula_sum   'Nd2 Co1 O4'
_cell_volume   93.52069878
_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  0.36303800  0.36303800  0.00000000  1.0
  Nd  Nd1  1  0.63696200  0.63696200  0.00000000  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.18116900  0.18116900  0.00000000  1.0
  O  O4  1  0.81883100  0.81883100  0.00000000  1.0
  O  O5  1  0.50000000  0.00000000  0.50000000  1.0
  O  O6  1  0.00000000  0.50000000  0.50000000  1.0