data_[Ta2Cr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5176]
_cell_length_b [3.7604]
_cell_length_c [11.0791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(CrTe3)2]
_chemical_formula_sum '[Ta2 Cr4 Te12]'
_cell_volume [519.6432]
_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  0.0000  0.0000  0.5000  1
  Cr  Cr1  4  0.1596  0.5000  0.8213  1
  Te  Te2  4  0.0064  0.0000  0.7561  1
  Te  Te3  4  0.1659  0.5000  0.5820  1
  Te  Te4  4  0.1836  0.5000  0.0813  1
]