data_[Sm2Zr6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9722]
_cell_length_b [4.0630]
_cell_length_c [12.5281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(ZrTe2)3]
_chemical_formula_sum '[Sm2 Zr6 Te12]'
_cell_volume [575.9538]
_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  0.0522  0.7500  0.7012  1.0
  Zr  Zr1  2  0.1200  0.7500  0.0701  1.0
  Zr  Zr2  2  0.3201  0.2500  0.4872  1.0
  Zr  Zr3  2  0.4439  0.7500  0.8676  1.0
  Te  Te4  2  0.1104  0.2500  0.9034  1.0
  Te  Te5  2  0.1256  0.7500  0.4718  1.0
  Te  Te6  2  0.1924  0.2500  0.2462  1.0
  Te  Te7  2  0.2784  0.2500  0.7192  1.0
  Te  Te8  2  0.3755  0.7500  0.0722  1.0
  Te  Te9  2  0.4860  0.7500  0.6237  1.0
]