data_[Sm8Sc2P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0570]
_cell_length_b [4.0570]
_cell_length_c [28.5199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sm4ScP5]
_chemical_formula_sum '[Sm8 Sc2 P10]'
_cell_volume [469.4094]
_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  4  0.0000  0.0000  0.1985  1.0
  Sm  Sm1  4  0.0000  0.0000  0.4023  1.0
  Sc  Sc2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.0000  0.0000  0.0953  1.0
  P  P4  4  0.0000  0.0000  0.3005  1.0
  P  P5  2  0.0000  0.0000  0.5000  1.0
]