data_[Sm2Mg1P3Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0203]
_cell_length_b [4.0203]
_cell_length_c [10.6321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Sm2MgP3Ir4]
_chemical_formula_sum '[Sm2 Mg1 P3 Ir4]'
_cell_volume [171.8411]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.7595  1
  Mg  Mg1  1  0.5000  0.5000  0.5000  1
  P  P2  2  0.0000  0.5000  0.1302  1
  P  P3  1  0.0000  0.0000  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.3458  1
  Ir  Ir5  1  0.0000  0.0000  0.0000  1
  Ir  Ir6  1  0.5000  0.5000  0.0000  1
]