# generated using pymatgen
data_Nd2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04523011
_cell_length_b   4.04523011
_cell_length_c   7.82714046
_cell_angle_alpha   105.11132214
_cell_angle_beta   105.11132214
_cell_angle_gamma   89.93857072
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MgCuO4
_chemical_formula_sum   'Nd2 Mg1 Cu1 O4'
_cell_volume   119.06986895
_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  0.59949600  0.59949600  0.20164100  1.0
  Nd  Nd1  1  0.36936500  0.36936500  0.73340700  1.0
  Mg  Mg2  1  0.79947900  0.79947900  0.59522300  1.0
  Cu  Cu3  1  0.97647600  0.97647600  0.95313100  1.0
  O  O4  1  0.52077200  0.01934800  0.04278300  1.0
  O  O5  1  0.77410300  0.27429500  0.54551600  1.0
  O  O6  1  0.01934800  0.52077200  0.04278300  1.0
  O  O7  1  0.27429500  0.77410300  0.54551600  1.0