data_[La12Pm3H30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9491]
_cell_length_b [3.9491]
_cell_length_c [48.4435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La4PmH10]
_chemical_formula_sum '[La12 Pm3 H30]'
_cell_volume [654.2875]
_cell_formula_units_Z [3]
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
[
  La  La0  6  0.0000  0.0000  0.2004  1
  La  La1  6  0.0000  0.0000  0.3990  1
  Pm  Pm2  3  0.0000  0.0000  0.0000  1
  H  H3  6  0.0000  0.0000  0.0483  1
  H  H4  6  0.0000  0.0000  0.1501  1
  H  H5  6  0.0000  0.0000  0.2507  1
  H  H6  6  0.0000  0.0000  0.3484  1
  H  H7  6  0.0000  0.0000  0.4492  1
]