data_[Sm2P2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0566]
_cell_length_b [4.0566]
_cell_length_c [10.3624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SmPRh3]
_chemical_formula_sum '[Sm2 P2 Rh6]'
_cell_volume [170.5203]
_cell_formula_units_Z [2]
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  0.0000  0.1933  1
  P  P1  2  0.0000  0.0000  0.8320  1
  Rh  Rh2  4  0.0000  0.5000  0.4400  1
  Rh  Rh3  2  0.0000  0.0000  0.6184  1
]