data_[Pm1Sm1Hg1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6799]
_cell_length_b [5.1365]
_cell_length_c [5.1273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [PmSmHgIr]
_chemical_formula_sum '[Pm1 Sm1 Hg1 Ir1]'
_cell_volume [96.9145]
_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  0.5000  0.0000  0.8039  1
  Sm  Sm1  1  0.5000  0.5000  0.3077  1
  Hg  Hg2  1  0.0000  0.5000  0.8109  1
  Ir  Ir3  1  0.0000  0.0000  0.2928  1
]