data_[Pm2Y2Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3119]
_cell_length_b [6.3172]
_cell_length_c [6.7603]
_cell_angle_alpha [62.1982]
_cell_angle_beta [62.1961]
_cell_angle_gamma [60.0481]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmYEr]
_chemical_formula_sum '[Pm2 Y2 Er2]'
_cell_volume [196.7648]
_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  2  0.0830  0.2514  0.7506  1
  Y  Y1  2  0.2524  0.0823  0.2510  1
  Er  Er2  2  0.4182  0.5811  0.7503  1
]