data_[Pr2Sm2As4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.1626]
_cell_length_b [5.1626]
_cell_length_c [11.7160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [PrSm(AsO4)2]
_chemical_formula_sum '[Pr2 Sm2 As4 O16]'
_cell_volume [312.2562]
_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  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.7500  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  As  As3  2  0.0000  0.5000  0.2500  1.0
  O  O4  8  0.1357  0.2486  0.5788  1.0
  O  O5  8  0.1424  0.7481  0.1733  1.0
]