data_[Sr1Sm2P2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5314]
_cell_length_b [6.0402]
_cell_length_c [6.1376]
_cell_angle_alpha [119.1787]
_cell_angle_beta [101.2604]
_cell_angle_gamma [101.2238]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrSm2(PN3)2]
_chemical_formula_sum '[Sr1 Sm2 P2 N6]'
_cell_volume [165.2285]
_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
[
  Sr  Sr0  1  0.5000  0.5000  0.0000  1.0
  Sm  Sm1  2  0.2725  0.7654  0.5592  1.0
  P  P2  2  0.1392  0.0406  0.2022  1.0
  N  N3  2  0.1918  0.0929  0.9603  1.0
  N  N4  2  0.2019  0.3223  0.4865  1.0
  N  N5  2  0.2890  0.8477  0.2273  1.0
]