data_[Ta4Mn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.5011]
_cell_length_b [5.6800]
_cell_length_c [20.3463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2MnTe3]
_chemical_formula_sum '[Ta4 Mn2 Te6]'
_cell_volume [866.8855]
_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
[
  Ta  Ta0  2  0.1606  0.2520  0.5096  1
  Ta  Ta1  2  0.7613  0.2443  0.4852  1
  Mn  Mn2  1  0.4308  0.0000  0.4374  1
  Mn  Mn3  1  0.9206  0.5000  0.5828  1
  Te  Te4  1  0.2494  0.5000  0.6273  1
  Te  Te5  1  0.4437  0.5000  0.4328  1
  Te  Te6  1  0.4773  0.0000  0.5664  1
  Te  Te7  1  0.7171  0.0000  0.3645  1
  Te  Te8  1  0.9197  0.0000  0.5969  1
  Te  Te9  1  0.9976  0.5000  0.4024  1
]