data_[Pr1Y4Er3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5718]
_cell_length_b [7.1205]
_cell_length_c [10.0726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PrY4Er3]
_chemical_formula_sum '[Pr1 Y4 Er3]'
_cell_volume [256.1736]
_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
[
  Pr  Pr0  1  0.5000  0.0000  0.0000  1
  Y  Y1  4  0.0000  0.2523  0.2527  1
  Er  Er2  1  0.5000  0.0000  0.5000  1
  Er  Er3  1  0.5000  0.5000  0.0000  1
  Er  Er4  1  0.5000  0.5000  0.5000  1
]