data_[Sm2Zr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [5.4848]
_cell_length_b [5.4848]
_cell_length_c [5.4061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [SmZrO4]
_chemical_formula_sum '[Sm2 Zr2 O8]'
_cell_volume [162.6294]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.9966  1.0
  Zr  Zr1  2  0.0000  0.5000  0.4398  1.0
  O  O2  4  0.1475  0.6475  0.7637  1.0
  O  O3  4  0.2377  0.2623  0.2683  1.0
]