data_[Nd8Mg4Mn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [4.3665]
_cell_length_b [18.8751]
_cell_length_c [12.9765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2MgMnTe5]
_chemical_formula_sum '[Nd8 Mg4 Mn4 Te20]'
_cell_volume [1069.4858]
_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
[
  Nd  Nd0  4  0.0000  0.1152  0.6859  1.0
  Nd  Nd1  4  0.0000  0.1249  0.3034  1.0
  Mg  Mg2  4  0.0000  0.2024  0.0114  1.0
  Mn  Mn3  4  0.0000  0.4213  0.4631  1.0
  Te  Te4  4  0.0000  0.0449  0.0699  1.0
  Te  Te5  4  0.0000  0.2894  0.6634  1.0
  Te  Te6  4  0.0000  0.3033  0.3429  1.0
  Te  Te7  4  0.0000  0.3540  0.9978  1.0
  Te  Te8  4  0.0000  0.4961  0.2863  1.0
]