data_[Pm1Pr2Er1S5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8495]
_cell_length_b [4.8495]
_cell_length_c [10.4453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PmPr2ErS5]
_chemical_formula_sum '[Pm1 Pr2 Er1 S5]'
_cell_volume [245.6471]
_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  2  0.5000  0.5000  0.3039  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Er  Er2  1  0.0000  0.0000  0.5000  1
  S  S3  2  0.0000  0.0000  0.2497  1
  S  S4  2  0.0000  0.5000  0.5000  1
  S  S5  1  0.5000  0.5000  0.0000  1
]