data_[Pr8Mg4Mn4Te20]
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
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3885]
_cell_length_b [18.9565]
_cell_length_c [13.0090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2MgMnTe5]
_chemical_formula_sum '[Pr8 Mg4 Mn4 Te20]'
_cell_volume [1082.2337]
_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  0.1149  0.6863  1.0
  Pr  Pr1  4  0.0000  0.1254  0.3037  1.0
  Mg  Mg2  4  0.0000  0.2022  0.0121  1.0
  Mn  Mn3  4  0.0000  0.4224  0.4621  1.0
  Te  Te4  4  0.0000  0.0454  0.0688  1.0
  Te  Te5  4  0.0000  0.2890  0.6632  1.0
  Te  Te6  4  0.0000  0.3039  0.3442  1.0
  Te  Te7  4  0.0000  0.3535  0.9980  1.0
  Te  Te8  4  0.0000  0.4967  0.2856  1.0
]