data_[Pm1Dy2Sc1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0177]
_cell_length_b [4.0198]
_cell_length_c [7.1181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PmDy2ScSe4]
_chemical_formula_sum '[Pm1 Dy2 Sc1 Se4]'
_cell_volume [189.9407]
_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  0.0000  0.5000  0.5000  1
  Dy  Dy1  1  0.5000  0.0000  0.5000  1
  Dy  Dy2  1  0.5000  0.5000  0.0000  1
  Sc  Sc3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2436  0.5000  0.2366  1
  Se  Se5  2  0.2522  0.0000  0.7622  1
]