data_[La4Pm1Y6]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [11.1263]
_cell_length_b [11.1263]
_cell_length_c [3.6236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [La4PmY6]
_chemical_formula_sum '[La4 Pm1 Y6]'
_cell_volume [388.4842]
_cell_formula_units_Z [1]
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  3  0.3187  0.1594  0.5000  1
  La  La1  1  0.3333  0.6667  0.0000  1
  Pm  Pm2  1  0.0000  0.0000  0.0000  1
  Y  Y3  3  0.1839  0.3678  0.5000  1
  Y  Y4  3  0.5188  0.0377  0.0000  1
]