data_[Ce1Mg1Zr7O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [Pmm2]
_cell_length_a [7.1642]
_cell_length_b [7.7260]
_cell_length_c [5.6733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CeMgZr7O16]
_chemical_formula_sum '[Ce1 Mg1 Zr7 O16]'
_cell_volume [314.0205]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.0240  1
  Mg  Mg1  1  0.5000  0.0000  0.3704  1
  Zr  Zr2  4  0.2321  0.2836  0.5211  1
  Zr  Zr3  1  0.0000  0.5000  0.9703  1
  Zr  Zr4  1  0.5000  0.0000  0.8869  1
  Zr  Zr5  1  0.5000  0.5000  0.0311  1
  O  O6  2  0.0000  0.2194  0.3209  1
  O  O7  2  0.0000  0.2588  0.8005  1
  O  O8  2  0.2316  0.5000  0.2305  1
  O  O9  2  0.2608  0.5000  0.7479  1
  O  O10  2  0.2833  0.0000  0.6130  1
  O  O11  2  0.2960  0.0000  0.1346  1
  O  O12  2  0.5000  0.2678  0.8488  1
  O  O13  2  0.5000  0.2744  0.3703  1
]