data_[Pr10Mg2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7808]
_cell_length_b [13.4799]
_cell_length_c [7.7736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5MgTe6]
_chemical_formula_sum '[Pr10 Mg2 Te12]'
_cell_volume [769.1759]
_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
[
  Pr  Pr0  4  0.0000  0.1760  0.5000  1
  Pr  Pr1  4  0.0000  0.3344  0.0000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2342  0.1566  0.2362  1
  Te  Te5  4  0.2308  0.0000  0.7555  1
]