data_[Sm4Mg4Cu4]
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 [C2/m]
_cell_length_a [10.1227]
_cell_length_b [4.3804]
_cell_length_c [7.2638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmMgCu]
_chemical_formula_sum '[Sm4 Mg4 Cu4]'
_cell_volume [273.4565]
_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  0.0759  0.5000  0.3321  1.0
  Mg  Mg1  4  0.1857  0.0000  0.0840  1.0
  Cu  Cu2  4  0.1340  0.0000  0.6690  1.0
]