data_[Sm4Ho1Cu5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5263]
_cell_length_b [3.5263]
_cell_length_c [17.7352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm4HoCu5]
_chemical_formula_sum '[Sm4 Ho1 Cu5]'
_cell_volume [220.5304]
_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  2  0.0000  0.0000  0.1968  1.0
  Sm  Sm1  2  0.0000  0.0000  0.3991  1.0
  Ho  Ho2  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.5000  0.5000  0.0930  1.0
  Cu  Cu4  2  0.5000  0.5000  0.2982  1.0
  Cu  Cu5  1  0.5000  0.5000  0.5000  1.0
]