data_[Sm2Zr4Ta2O16]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9575]
_cell_length_b [7.0582]
_cell_length_c [6.6783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [SmZr2TaO8]
_chemical_formula_sum '[Sm2 Zr4 Ta2 O16]'
_cell_volume [327.9528]
_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  0.5000  1.0
  Zr  Zr1  4  0.0000  0.5000  0.2475  1.0
  Ta  Ta2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.1968  0.0000  0.2170  1.0
  O  O4  4  0.0000  0.2929  0.0000  1.0
  O  O5  4  0.0000  0.3212  0.5000  1.0
]