data_[Sm12Ge4Te6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9803]
_cell_length_b [4.2923]
_cell_length_c [8.7789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge2Te3P]
_chemical_formula_sum '[Sm12 Ge4 Te6 P2]'
_cell_volume [691.3046]
_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  0.0064  0.0000  0.2302  1.0
  Sm  Sm1  4  0.1591  0.5000  0.0976  1.0
  Sm  Sm2  4  0.1723  0.5000  0.5675  1.0
  Ge  Ge3  4  0.1659  0.0000  0.3312  1.0
  Te  Te4  4  0.1666  0.0000  0.8338  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  2  0.0000  0.5000  0.0000  1.0
]