data_[Pm4Th4Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0321]
_cell_length_b [4.0161]
_cell_length_c [8.0641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PmThOs]
_chemical_formula_sum '[Pm4 Th4 Os4]'
_cell_volume [321.9069]
_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  2  0.2560  0.5000  0.8674  1
  Pm  Pm1  2  0.3332  0.0000  0.5720  1
  Th  Th2  2  0.0854  0.5000  0.1153  1
  Th  Th3  2  0.4945  0.5000  0.4207  1
  Os  Os4  2  0.0349  0.0000  0.8340  1
  Os  Os5  2  0.3193  0.0000  0.1772  1
]