data_[Pm1Sm3Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0079]
_cell_length_b [5.0079]
_cell_length_c [6.8553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PmSm3Rh4]
_chemical_formula_sum '[Pm1 Sm3 Rh4]'
_cell_volume [171.9239]
_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  0.5000  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  1  0.5000  0.5000  0.0000  1
  Sm  Sm3  1  0.5000  0.5000  0.5000  1
  Rh  Rh4  4  0.0000  0.5000  0.2492  1
]