data_[Sm2In3Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7525]
_cell_length_b [4.7525]
_cell_length_c [7.5901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm2In3Cu]
_chemical_formula_sum '[Sm2 In3 Cu1]'
_cell_volume [148.4636]
_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  0.6667  0.3333  0.2758  1.0
  Sm  Sm1  1  0.6667  0.3333  0.7365  1.0
  In  In2  1  0.0000  0.0000  0.0646  1.0
  In  In3  1  0.3333  0.6667  0.5158  1.0
  In  In4  1  0.3333  0.6667  0.9488  1.0
  Cu  Cu5  1  0.0000  0.0000  0.4585  1.0
]