data_[Pm2Be2Cu22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.7790]
_cell_length_b [11.8575]
_cell_length_c [6.4498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmBeCu11]
_chemical_formula_sum '[Pm2 Be2 Cu22]'
_cell_volume [343.4630]
_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  2  0.0000  0.0000  0.0000  1
  Be  Be1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  8  0.1031  0.6107  0.2343  1
  Cu  Cu3  8  0.1714  0.8233  0.3564  1
  Cu  Cu4  4  0.2500  0.2500  0.0000  1
  Cu  Cu5  2  0.0000  0.0000  0.5000  1
]