data_[Ta4Mn2Te8]
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 [C2/m]
_cell_length_a [15.2525]
_cell_length_b [3.6960]
_cell_length_c [6.7437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2MnTe4]
_chemical_formula_sum '[Ta4 Mn2 Te8]'
_cell_volume [344.5495]
_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  4  0.2450  0.5000  0.6722  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.1010  0.0000  0.4477  1.0
  Te  Te3  4  0.1434  0.5000  0.9753  1.0
]