data_[Li8Pm8Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8892]
_cell_length_b [3.4193]
_cell_length_c [11.5996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPmEr]
_chemical_formula_sum '[Li8 Pm8 Er8]'
_cell_volume [694.6008]
_cell_formula_units_Z [8]
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
[
  Li  Li0  4  0.0398  0.5000  0.8074  1
  Li  Li1  4  0.0647  0.0000  0.3260  1
  Pm  Pm2  4  0.0963  0.5000  0.5678  1
  Pm  Pm3  4  0.1068  0.5000  0.0860  1
  Er  Er4  4  0.2206  0.5000  0.8651  1
  Er  Er5  4  0.2237  0.5000  0.3672  1
]