data_[Ca2Fe1Te1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5655]
_cell_length_b [5.5716]
_cell_length_c [5.6035]
_cell_angle_alpha [119.2749]
_cell_angle_beta [91.3393]
_cell_angle_gamma [118.8044]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2FeTeO6]
_chemical_formula_sum '[Ca2 Fe1 Te1 O6]'
_cell_volume [124.9565]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  2  0.2731  0.5033  0.2428  1.0
  Fe  Fe1  1  0.0000  0.0000  0.5000  1.0
  Te  Te2  1  0.5000  0.0000  0.0000  1.0
  O  O3  2  0.1631  0.5382  0.7816  1.0
  O  O4  2  0.3126  0.1139  0.8133  1.0
  O  O5  2  0.3318  0.1249  0.3034  1.0
]