data_[Sm4Y4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7226]
_cell_length_b [3.7557]
_cell_length_c [8.2171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.0309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmYCu]
_chemical_formula_sum '[Sm4 Y4 Cu4]'
_cell_volume [313.4465]
_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  0.0978  0.5000  0.8859  1
  Y  Y1  4  0.1584  0.0000  0.5637  1
  Cu  Cu2  4  0.1217  0.0000  0.1760  1
]