data_CaNbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   10.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbTe2
_chemical_formula_sum   'Ca1 Nb1 Te2'
_cell_volume   113.88
_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  0.17  1.0
  Nb  Nb1  1  0.05  0.0  0.6  1.0
  Te  Te2  1  0.0  0.0  0.73  1.0
  Te  Te3  1  0.05  0.0  0.58  1.0

data_CaNbTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   10.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbTe2
_chemical_formula_sum   'Ca1 Nb1 Te2'
_cell_volume   113.88
_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  0.17  1.0
  Nb  Nb1  1  0.05  0.0  0.6  1.0
  Te  Te2  1  0.0  0.0  0.73  1.0
  Te  Te3  1  0.05  0.0  0.58  1.0

Ca Nb Te Te