data_[K3Sm1P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7661]
_cell_length_b [5.7661]
_cell_length_c [7.8680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Sm(PO4)2]
_chemical_formula_sum '[K3 Sm1 P2 O8]'
_cell_volume [226.5466]
_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
[
  K  K0  2  0.3333  0.6667  0.2648  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3333  0.6667  0.7464  1.0
  O  O4  6  0.1865  0.3731  0.6745  1.0
  O  O5  2  0.3333  0.6667  0.9393  1.0
]