data_[Pr8Er4Mg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  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 [4.3756]
_cell_length_b [19.0869]
_cell_length_c [13.5079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2ErMgTe5]
_chemical_formula_sum '[Pr8 Er4 Mg4 Te20]'
_cell_volume [1128.1162]
_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  0.1118  0.6821  1.0
  Pr  Pr1  4  0.0000  0.1326  0.3037  1.0
  Er  Er2  4  0.0000  0.2050  0.0122  1.0
  Mg  Mg3  4  0.0000  0.4434  0.4554  1.0
  Te  Te4  4  0.0000  0.0512  0.0745  1.0
  Te  Te5  4  0.0000  0.2830  0.6692  1.0
  Te  Te6  4  0.0000  0.3106  0.3512  1.0
  Te  Te7  4  0.0000  0.3626  0.9991  1.0
  Te  Te8  4  0.0000  0.4960  0.7766  1.0
]