data_[Ba1Pm1Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6724]
_cell_length_b [4.5762]
_cell_length_c [9.1921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaPmSn4]
_chemical_formula_sum '[Ba1 Pm1 Sn4]'
_cell_volume [196.2610]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1
  Pm  Pm1  1  0.0000  0.0000  0.5000  1
  Sn  Sn2  2  0.3691  0.5000  0.3501  1
  Sn  Sn3  2  0.4142  0.0000  0.8062  1
]