data_[Sm8Cr4P4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1209]
_cell_length_b [13.7724]
_cell_length_c [10.0960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2CrPN5]
_chemical_formula_sum '[Sm8 Cr4 P4 N20]'
_cell_volume [433.9456]
_cell_formula_units_Z [4]
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  0.1148  0.6756  1.0
  Sm  Sm1  4  0.0000  0.1389  0.3178  1.0
  Cr  Cr2  4  0.0000  0.2125  0.0359  1.0
  P  P3  4  0.0000  0.4397  0.4301  1.0
  N  N4  4  0.0000  0.0454  0.0191  1.0
  N  N5  4  0.0000  0.2921  0.6525  1.0
  N  N6  4  0.0000  0.3235  0.3900  1.0
  N  N7  4  0.0000  0.3434  0.0076  1.0
  N  N8  4  0.0000  0.4971  0.7955  1.0
]