data_[Pm6Nd1Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6084]
_cell_length_b [11.1188]
_cell_length_c [6.6513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm6NdEr6]
_chemical_formula_sum '[Pm6 Nd1 Er6]'
_cell_volume [441.3401]
_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
[
  Pm  Pm0  2  0.0000  0.3320  0.0000  1
  Pm  Pm1  2  0.2725  0.5000  0.7404  1
  Pm  Pm2  2  0.3344  0.0000  0.6161  1
  Nd  Nd3  1  0.0000  0.0000  0.0000  1
  Er  Er4  2  0.0000  0.2332  0.5000  1
  Er  Er5  2  0.5000  0.2179  0.0000  1
  Er  Er6  2  0.5000  0.3006  0.5000  1
]