data_[Tb6Pm1Er1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5423]
_cell_length_b [6.7365]
_cell_length_c [6.9588]
_cell_angle_alpha [118.2926]
_cell_angle_beta [104.0269]
_cell_angle_gamma [90.1451]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb6PmEr]
_chemical_formula_sum '[Tb6 Pm1 Er1]'
_cell_volume [259.5137]
_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  0.2315  0.5772  0.4823  1
  Tb  Tb1  2  0.2524  0.5459  0.0022  1
  Tb  Tb2  2  0.2725  0.0971  0.5277  1
  Pm  Pm3  1  0.0000  0.0000  0.0000  1
  Er  Er4  1  0.5000  0.0000  0.0000  1
]