data_[Sm2Mg8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2949]
_cell_length_b [16.4052]
_cell_length_c [4.2734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm(Mg2Cu)2]
_chemical_formula_sum '[Sm2 Mg8 Cu4]'
_cell_volume [301.0969]
_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  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  4  0.0000  0.1751  0.5000  1.0
  Mg  Mg2  4  0.0000  0.3241  0.0000  1.0
  Cu  Cu3  4  0.0000  0.4260  0.5000  1.0
]