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 [4.3739]
_cell_length_b [18.8998]
_cell_length_c [12.9167]
_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 [1067.7546]
_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  0.1151  0.6857  1
  Nd  Nd1  4  0.0000  0.1248  0.3033  1
  Mg  Mg2  4  0.0000  0.2023  0.0113  1
  Mn  Mn3  4  0.0000  0.4213  0.4632  1
  Te  Te4  4  0.0000  0.0448  0.0701  1
  Te  Te5  4  0.0000  0.2894  0.6634  1
  Te  Te6  4  0.0000  0.3030  0.3429  1
  Te  Te7  4  0.0000  0.3539  0.9979  1
  Te  Te8  4  0.0000  0.4962  0.2862  1
]