data_[Tb4Sm7Er1]
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 [P-1]
_cell_length_a [6.2804]
_cell_length_b [7.2477]
_cell_length_c [8.9416]
_cell_angle_alpha [89.9929]
_cell_angle_beta [76.4765]
_cell_angle_gamma [89.9881]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb4Sm7Er]
_chemical_formula_sum '[Tb4 Sm7 Er1]'
_cell_volume [395.7241]
_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
[
  Tb  Tb0  2  0.2214  0.4997  0.3343  1
  Tb  Tb1  2  0.2781  0.7497  0.6678  1
  Sm  Sm2  2  0.2214  0.9998  0.3341  1
  Sm  Sm3  2  0.2786  0.2507  0.6668  1
  Sm  Sm4  2  0.4994  0.7492  0.9996  1
  Sm  Sm5  1  0.0000  0.5000  0.0000  1
  Er  Er6  1  0.0000  0.0000  0.0000  1
]