data_[Pm3Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.8569]
_cell_length_b [4.8569]
_cell_length_c [20.0658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Pm3Er2]
_chemical_formula_sum '[Pm3 Er2]'
_cell_volume [473.3457]
_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  0.5000  0.5249  1
  Pm  Pm1  1  0.5000  0.5000  0.3956  1
  Er  Er2  1  0.0000  0.0000  0.4067  1
  Er  Er3  1  0.0000  0.0000  0.6481  1
]