data_[Pm2Sm6Y4P12]
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
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0692]
_cell_length_b [12.2424]
_cell_length_c [7.0690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmSm3(YP3)2]
_chemical_formula_sum '[Pm2 Sm6 Y4 P12]'
_cell_volume [576.8477]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.1660  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Y  Y3  4  0.0000  0.3331  0.0000  1
  P  P4  8  0.2492  0.3315  0.7529  1
  P  P5  4  0.2452  0.5000  0.2466  1
]