data_[Pm4Th4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5218]
_cell_length_b [3.5160]
_cell_length_c [5.2329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmThSi]
_chemical_formula_sum '[Pm4 Th4 Si4]'
_cell_volume [319.8656]
_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  0.0752  0.0000  0.2012  1
  Th  Th1  4  0.2076  0.0000  0.7334  1
  Si  Si2  4  0.0591  0.5000  0.6743  1
]