data_[Pm20As8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7418]
_cell_length_b [12.7735]
_cell_length_c [12.9059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm5As2C]
_chemical_formula_sum '[Pm20 As8 C4]'
_cell_volume [946.5459]
_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  8  0.0000  0.0553  0.1213  1
  Pm  Pm1  8  0.0000  0.3324  0.1006  1
  Pm  Pm2  4  0.0000  0.3096  0.7500  1
  As  As3  8  0.0000  0.1734  0.5725  1
  C  C4  4  0.0000  0.1984  0.2500  1
]