data_[Nb2Co4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7939]
_cell_length_b [3.7337]
_cell_length_c [10.5897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbCo2Te3]
_chemical_formula_sum '[Nb2 Co4 Te6]'
_cell_volume [288.5168]
_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
[
  Nb  Nb0  2  0.2055  0.2500  0.6957  1.0
  Co  Co1  2  0.0309  0.2500  0.4326  1.0
  Co  Co2  2  0.4123  0.7500  0.9160  1.0
  Te  Te3  2  0.0595  0.7500  0.8263  1.0
  Te  Te4  2  0.2672  0.7500  0.5015  1.0
  Te  Te5  2  0.4231  0.7500  0.1593  1.0
]