data_[Sm4Zn1In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8785]
_cell_length_b [4.7790]
_cell_length_c [12.1389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4ZnIn3]
_chemical_formula_sum '[Sm4 Zn1 In3]'
_cell_volume [224.9982]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.1503  1.0
  Sm  Sm1  1  0.0000  0.5000  0.8538  1.0
  Sm  Sm2  1  0.5000  0.0000  0.6568  1.0
  Sm  Sm3  1  0.5000  0.5000  0.3352  1.0
  Zn  Zn4  1  0.5000  0.5000  0.0752  1.0
  In  In5  1  0.0000  0.0000  0.4234  1.0
  In  In6  1  0.0000  0.5000  0.5758  1.0
  In  In7  1  0.5000  0.0000  0.9295  1.0
]