data_[Nd2Mn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8229]
_cell_length_b [4.2666]
_cell_length_c [8.8059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdMnTe3]
_chemical_formula_sum '[Nd2 Mn2 Te6]'
_cell_volume [293.0506]
_cell_formula_units_Z [2]
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  2  0.3777  0.2500  0.2102  1.0
  Mn  Mn1  2  0.1497  0.7500  0.6594  1.0
  Te  Te2  2  0.0935  0.7500  0.3423  1.0
  Te  Te3  2  0.2639  0.7500  0.9559  1.0
  Te  Te4  2  0.3727  0.2500  0.5931  1.0
]