data_[Pm4Sc2Cu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3078]
_cell_length_b [5.4683]
_cell_length_c [10.1869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm2ScCuO6]
_chemical_formula_sum '[Pm4 Sc2 Cu2 O12]'
_cell_volume [261.5924]
_cell_formula_units_Z [2]
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  4  0.2868  0.0521  0.2582  1
  Sc  Sc1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1033  0.0461  0.7187  1
  O  O4  4  0.3086  0.7044  0.5757  1
  O  O5  4  0.3631  0.2286  0.5600  1
]