data_[Pm6Ho16Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3255]
_cell_length_b [12.7747]
_cell_length_c [6.7058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3(Ho2Er)4]
_chemical_formula_sum '[Pm6 Ho16 Er8]'
_cell_volume [987.0192]
_cell_formula_units_Z [2]
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  4  0.2500  0.2500  0.5000  1
  Pm  Pm1  2  0.0000  0.5000  0.5000  1
  Ho  Ho2  4  0.0000  0.2520  0.5000  1
  Ho  Ho3  4  0.0000  0.3591  0.0000  1
  Ho  Ho4  4  0.2310  0.5000  0.4591  1
  Ho  Ho5  4  0.2399  0.5000  0.9894  1
  Er  Er6  4  0.2500  0.2500  0.0000  1
  Er  Er7  2  0.0000  0.0000  0.0000  1
  Er  Er8  2  0.0000  0.0000  0.5000  1
]