data_[Sm4Cu3Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8486]
_cell_length_b [4.4918]
_cell_length_c [10.5446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4Cu3Ru]
_chemical_formula_sum '[Sm4 Cu3 Ru1]'
_cell_volume [182.2837]
_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  0.1389  1
  Sm  Sm1  1  0.0000  0.5000  0.8689  1
  Sm  Sm2  1  0.5000  0.0000  0.6395  1
  Sm  Sm3  1  0.5000  0.5000  0.3483  1
  Cu  Cu4  1  0.0000  0.0000  0.4320  1
  Cu  Cu5  1  0.0000  0.5000  0.5649  1
  Cu  Cu6  1  0.5000  0.0000  0.9276  1
  Ru  Ru7  1  0.5000  0.5000  0.0798  1
]