data_[Pm4As1Ir1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3196]
_cell_length_b [4.1637]
_cell_length_c [7.3990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4AsIrSe2]
_chemical_formula_sum '[Pm4 As1 Ir1 Se2]'
_cell_volume [213.6091]
_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  2  0.2354  0.5000  0.2300  1
  Pm  Pm1  2  0.2457  0.0000  0.7662  1
  As  As2  1  0.5000  0.5000  0.0000  1
  Ir  Ir3  1  0.0000  0.0000  0.0000  1
  Se  Se4  1  0.0000  0.5000  0.5000  1
  Se  Se5  1  0.5000  0.0000  0.5000  1
]