data_[Sm2Co5Cu5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0566]
_cell_length_b [5.0318]
_cell_length_c [8.5631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Sm2(CoCu)5]
_chemical_formula_sum '[Sm2 Co5 Cu5]'
_cell_volume [174.7886]
_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  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  1  0.0000  0.5000  0.0000  1.0
  Co  Co2  2  0.0000  0.0000  0.1640  1.0
  Co  Co3  2  0.0000  0.5000  0.3475  1.0
  Co  Co4  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu5  4  0.5000  0.2497  0.2520  1.0
  Cu  Cu6  1  0.5000  0.0000  0.0000  1.0
]