data_[Sm2Al8Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.8143]
_cell_length_b [4.1115]
_cell_length_c [6.9362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SmAl4Cr]
_chemical_formula_sum '[Sm2 Al8 Cr2]'
_cell_volume [222.8521]
_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  2  0.2500  0.0000  0.3733  1.0
  Al  Al1  4  0.0622  0.5000  0.6923  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Al  Al3  2  0.2500  0.5000  0.0369  1.0
  Cr  Cr4  2  0.2500  0.0000  0.7948  1.0
]