data_SmYCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   133.6
_cell_angle_beta   102.08
_cell_angle_gamma   95.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmYCu4
_chemical_formula_sum   'Sm1 Y1 Cu4'
_cell_volume   111.61
_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  0.17  0.0  0.39  1.0
  Y  Y1  1  0.0  0.0  0.29  1.0
  Cu  Cu2  1  0.0  0.1  0.5  1.0
  Cu  Cu3  1  0.0  0.39  0.91  1.0
  Cu  Cu4  1  0.17  0.08  0.21  1.0
  Cu  Cu5  1  0.17  0.37  0.8  1.0

data_SmYCu4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   77.92
_cell_angle_beta   66.8
_cell_angle_gamma   66.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmYCu4
_chemical_formula_sum   'Sm1 Y1 Cu4'
_cell_volume   111.61
_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  0.0  0.83  0.39  1.0
  Y  Y1  1  0.0  0.0  0.29  1.0
  Cu  Cu2  1  0.08  0.83  0.13  1.0
  Cu  Cu3  1  0.1  0.0  0.4  1.0
  Cu  Cu4  1  0.37  0.83  0.42  1.0
  Cu  Cu5  1  0.39  0.0  0.52  1.0

Sm Y Cu Cu Cu Cu