data_CoNiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.45
_cell_angle_alpha   105.91
_cell_angle_beta   105.91
_cell_angle_gamma   51.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiTe2
_chemical_formula_sum   'Co1 Ni1 Te2'
_cell_volume   80.29
_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
  Co  Co0  1  0.59  0.0  0.38  1.0
  Ni  Ni1  1  0.44  0.0  0.34  1.0
  Te  Te2  1  0.57  0.0  0.42  1.0
  Te  Te3  1  0.83  0.0  0.22  1.0

data_CoNiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.08
_cell_length_c   6.45
_cell_angle_alpha   105.91
_cell_angle_beta   90.0
_cell_angle_gamma   115.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiTe2
_chemical_formula_sum   'Co1 Ni1 Te2'
_cell_volume   80.29
_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
  Co  Co0  1  0.0  0.41  0.62  1.0
  Ni  Ni1  1  0.0  0.56  0.66  1.0
  Te  Te2  1  0.0  0.17  0.78  1.0
  Te  Te3  1  0.0  0.43  0.58  1.0

Co Ni Te Te
Co Ni Te Te 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 