data_[Pm4Sn3Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4194]
_cell_length_b [4.4517]
_cell_length_c [11.3878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pm4Sn3Ir]
_chemical_formula_sum '[Pm4 Sn3 Ir1]'
_cell_volume [224.0402]
_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
[
  Pm  Pm0  1  0.0000  0.0000  0.1345  1
  Pm  Pm1  1  0.0000  0.5000  0.8811  1
  Pm  Pm2  1  0.5000  0.0000  0.6412  1
  Pm  Pm3  1  0.5000  0.5000  0.3357  1
  Sn  Sn4  1  0.0000  0.0000  0.4144  1
  Sn  Sn5  1  0.0000  0.5000  0.5919  1
  Sn  Sn6  1  0.5000  0.0000  0.9223  1
  Ir  Ir7  1  0.5000  0.5000  0.0790  1
]