data_[Sm2Er2Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8789]
_cell_length_b [7.2036]
_cell_length_c [10.9999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmErCd6]
_chemical_formula_sum '[Sm2 Er2 Cd12]'
_cell_volume [386.5995]
_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  0.0000  0.6135  1.0
  Er  Er1  2  0.0000  0.0000  0.8870  1.0
  Cd  Cd2  4  0.0000  0.2151  0.1570  1.0
  Cd  Cd3  4  0.5000  0.2176  0.3446  1.0
  Cd  Cd4  2  0.0000  0.0000  0.4228  1.0
  Cd  Cd5  2  0.5000  0.0000  0.0739  1.0
]