data_[Pr4Mg2Zr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [C2/m]
_cell_length_a [9.9812]
_cell_length_b [5.7020]
_cell_length_c [5.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2MgZrO6]
_chemical_formula_sum '[Pr4 Mg2 Zr2 O12]'
_cell_volume [269.3744]
_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
[
  Pr  Pr0  4  0.2476  0.0000  0.2229  1.0
  Mg  Mg1  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0651  0.2518  0.8172  1.0
  O  O4  4  0.2458  0.0000  0.6321  1.0
]