data_[La4Pm6Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1123]
_cell_length_b [4.3003]
_cell_length_c [8.6180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pm3Si2]
_chemical_formula_sum '[La4 Pm6 Si4]'
_cell_volume [417.5703]
_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  4  0.1538  0.0000  0.8122  1
  Pm  Pm1  4  0.1312  0.5000  0.4451  1
  Pm  Pm2  2  0.0000  0.5000  0.0000  1
  Si  Si3  4  0.1657  0.0000  0.2101  1
]