data_[Nd4Mg2Zr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6102]
_cell_length_b [5.8378]
_cell_length_c [9.8054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2MgZrO6]
_chemical_formula_sum '[Nd4 Mg2 Zr2 O12]'
_cell_volume [265.3304]
_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  4  0.2693  0.0566  0.2518  1
  Mg  Mg1  2  0.5000  0.0000  0.0000  1
  Zr  Zr2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1364  0.0428  0.7492  1
  O  O4  4  0.2602  0.7018  0.5615  1
  O  O5  4  0.3590  0.1990  0.5573  1
]