data_[Pm1Y4Er1]
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 [Pmmm]
_cell_length_a [3.4542]
_cell_length_b [5.8682]
_cell_length_c [9.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PmY4Er]
_chemical_formula_sum '[Pm1 Y4 Er1]'
_cell_volume [200.5668]
_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  1  0.5000  0.0000  0.5000  1
  Y  Y1  2  0.0000  0.0000  0.1845  1
  Y  Y2  2  0.5000  0.5000  0.3115  1
  Er  Er3  1  0.0000  0.5000  0.0000  1
]