data_[Sm6Ga16Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7894]
_cell_length_b [4.2980]
_cell_length_c [9.5880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Ga8Cu3]
_chemical_formula_sum '[Sm6 Ga16 Cu6]'
_cell_volume [520.3819]
_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  4  0.1937  0.5000  0.6852  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0001  0.5000  0.3029  1
  Ga  Ga3  4  0.1438  0.0000  0.8624  1
  Ga  Ga4  4  0.1469  0.0000  0.4207  1
  Ga  Ga5  4  0.1558  0.5000  0.0411  1
  Cu  Cu6  4  0.1564  0.5000  0.2984  1
  Cu  Cu7  2  0.0000  0.0000  0.5000  1
]