data_[Sm2Sc6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.4788]
_cell_length_b [9.1178]
_cell_length_c [8.2787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SmSc3Cu2]
_chemical_formula_sum '[Sm2 Sc6 Cu4]'
_cell_volume [262.5909]
_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  0.5000  0.4158  0.5153  1
  Sc  Sc1  2  0.0000  0.0717  0.4869  1
  Sc  Sc2  2  0.0000  0.2812  0.8413  1
  Sc  Sc3  2  0.5000  0.1985  0.1571  1
  Cu  Cu4  2  0.0000  0.4111  0.2283  1
  Cu  Cu5  2  0.5000  0.0754  0.7710  1
]