data_[Pr8Y4Mg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3973]
_cell_length_b [19.1121]
_cell_length_c [13.4785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2YMgTe5]
_chemical_formula_sum '[Pr8 Y4 Mg4 Te20]'
_cell_volume [1132.7476]
_cell_formula_units_Z [4]
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  0.1119  0.6837  1.0
  Pr  Pr1  4  0.0000  0.1321  0.3034  1.0
  Y  Y2  4  0.0000  0.2055  0.0115  1.0
  Mg  Mg3  4  0.0000  0.4447  0.4561  1.0
  Te  Te4  4  0.0000  0.0504  0.0740  1.0
  Te  Te5  4  0.0000  0.2838  0.6707  1.0
  Te  Te6  4  0.0000  0.3118  0.3487  1.0
  Te  Te7  4  0.0000  0.3645  0.0002  1.0
  Te  Te8  4  0.0000  0.4956  0.7757  1.0
]