data_[Pm4Cu4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7531]
_cell_length_b [5.7542]
_cell_length_c [10.6429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [PmCuSO]
_chemical_formula_sum '[Pm4 Cu4 S4 O4]'
_cell_volume [351.9660]
_cell_formula_units_Z [4]
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  2  0.0076  0.3187  0.6076  1
  Pm  Pm1  2  0.4921  0.3190  0.3925  1
  Cu  Cu2  2  0.2351  0.5948  0.9987  1
  Cu  Cu3  2  0.4985  0.3435  0.8138  1
  S  S4  2  0.2336  0.6079  0.7990  1
  S  S5  2  0.2385  0.5812  0.1986  1
  O  O6  2  0.2495  0.0678  0.5000  1
  O  O7  2  0.2502  0.5671  0.4995  1
]