data_[Sm2Er2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4833]
_cell_length_b [3.4833]
_cell_length_c [12.3780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SmErCu]
_chemical_formula_sum '[Sm2 Er2 Cu2]'
_cell_volume [150.1865]
_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  0.0000  0.0000  0.0232  1.0
  Er  Er1  2  0.0000  0.0000  0.3016  1.0
  Cu  Cu2  2  0.0000  0.0000  0.6753  1.0
]