data_CaFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeTe2
_chemical_formula_sum   'Ca1 Fe1 Te2'
_cell_volume   100.16
_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  1  0.0  0.0  0.93  1.0
  Fe  Fe1  1  0.66  0.66  0.08  1.0
  Te  Te2  1  0.0  0.0  0.21  1.0
  Te  Te3  1  0.66  0.66  0.6  1.0

data_CaFeTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaFeTe2
_chemical_formula_sum   'Ca2 Fe2 Te4'
_cell_volume   200.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.93  1.0
  Fe  Fe1  2  0.16  0.5  0.08  1.0
  Te  Te2  2  0.0  0.0  0.21  1.0
  Te  Te3  2  0.16  0.5  0.6  1.0

Ca Fe Te Te
Ca Fe Te Te 0 1 - - + 0 2 o o + 0 3 o - o 0 3 - o o 0 3 - - o 1 2 + + o 2 3 - - o 3 3 + o o 3 3 o + o 