data_[Pm4Cu4B4O16]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7750]
_cell_length_b [8.6124]
_cell_length_c [6.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PmCuBO4]
_chemical_formula_sum '[Pm4 Cu4 B4 O16]'
_cell_volume [321.6824]
_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  4  0.0000  0.5000  0.0000  1
  Cu  Cu1  4  0.0000  0.1686  0.2500  1
  B  B2  4  0.0000  0.1368  0.7500  1
  O  O3  8  0.0000  0.2322  0.5586  1
  O  O4  8  0.2082  0.0289  0.7500  1
]