data_[La4Pm2Y2Tl4]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.1871]
_cell_length_b [10.3562]
_cell_length_c [6.9935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [La2PmYTl2]
_chemical_formula_sum '[La4 Pm2 Y2 Tl4]'
_cell_volume [375.6772]
_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
[
  La  La0  2  0.0000  0.1756  0.8129  1
  La  La1  2  0.5000  0.0615  0.5862  1
  Pm  Pm2  2  0.0000  0.4562  0.4590  1
  Y  Y3  2  0.5000  0.3061  0.1702  1
  Tl  Tl4  2  0.0000  0.1481  0.2958  1
  Tl  Tl5  2  0.5000  0.3862  0.7215  1
]