data_[Pm4Cr4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8545]
_cell_length_b [12.0066]
_cell_length_c [4.8344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PmCrH4]
_chemical_formula_sum '[Pm4 Cr4 H16]'
_cell_volume [223.7318]
_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  0.1357  0.7058  1
  Cr  Cr1  4  0.0000  0.4174  0.7103  1
  H  H2  4  0.0000  0.0813  0.2065  1
  H  H3  4  0.0000  0.3055  0.9314  1
  H  H4  4  0.0000  0.3167  0.4596  1
  H  H5  4  0.0000  0.4565  0.0531  1
]