data_[Pm3Pr12Er3Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.6890]
_cell_length_b [8.6890]
_cell_length_c [21.2403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmPr4ErSe8]
_chemical_formula_sum '[Pm3 Pr12 Er3 Se24]'
_cell_volume [1388.7638]
_cell_formula_units_Z [3]
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  9  0.1701  0.3403  0.8325  1
  Pm  Pm1  3  0.0000  0.0000  0.0025  1
  Pr  Pr2  3  0.0000  0.0000  0.6246  1
  Er  Er3  3  0.0000  0.0000  0.3754  1
  Se  Se4  9  0.0083  0.5041  0.7495  1
  Se  Se5  9  0.1794  0.3589  0.5817  1
  Se  Se6  3  0.0000  0.0000  0.2482  1
  Se  Se7  3  0.0000  0.0000  0.7583  1
]