data_[Mn2Nb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9675]
_cell_length_b [7.0862]
_cell_length_c [11.0147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn(NbTe3)2]
_chemical_formula_sum '[Mn2 Nb4 Te12]'
_cell_volume [444.4100]
_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
[
  Mn  Mn0  2  0.5000  0.0000  0.5000  1
  Nb  Nb1  4  0.2796  0.1568  0.7549  1
  Te  Te2  4  0.0913  0.5058  0.7391  1
  Te  Te3  4  0.2240  0.6638  0.0694  1
  Te  Te4  4  0.4146  0.1598  0.0753  1
]