data_[Tb4Sm12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6224]
_cell_length_b [16.7535]
_cell_length_c [11.7389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbSm3Er]
_chemical_formula_sum '[Tb4 Sm12 Er4]'
_cell_volume [712.4084]
_cell_formula_units_Z [4]
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
[
  Tb  Tb0  4  0.0000  0.4863  0.7500  1
  Sm  Sm1  8  0.0000  0.3497  0.0021  1
  Sm  Sm2  4  0.0000  0.1870  0.2500  1
  Er  Er3  4  0.0000  0.1512  0.7500  1
]