# generated using pymatgen
data_Nd2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40329967
_cell_length_b   3.40329926
_cell_length_c   10.68518729
_cell_angle_alpha   99.16355184
_cell_angle_beta   99.16353897
_cell_angle_gamma   89.99999730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MgCuO4
_chemical_formula_sum   'Nd2 Mg1 Cu1 O4'
_cell_volume   120.58101321
_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  0.61928050  0.61928050  0.23856099  1.0
  Nd  Nd1  1  0.38071950  0.38071950  0.76143901  1.0
  Mg  Mg2  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  -0.00000000  1.0
  O  O4  1  0.80868824  0.80868824  0.61737549  1.0
  O  O5  1  0.19131176  0.19131176  0.38262451  1.0
  O  O6  1  0.94777397  0.44777397  0.89554794  1.0
  O  O7  1  0.55222603  0.05222603  0.10445206  1.0