data_[Sm6Y2Tm4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9940]
_cell_length_b [12.1109]
_cell_length_c [6.9879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Y(TmP3)2]
_chemical_formula_sum '[Sm6 Y2 Tm4 P12]'
_cell_volume [558.1819]
_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  4  0.0000  0.1662  0.5000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm3  4  0.0000  0.3332  0.0000  1.0
  P  P4  8  0.2485  0.1678  0.2418  1.0
  P  P5  4  0.2448  0.5000  0.2415  1.0
]