data_CdNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   40.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Te
_chemical_formula_sum   'Cd1 Ni2 Te1'
_cell_volume   67.41
_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
  Cd  Cd0  1  0.0  0.0  0.25  1.0
  Ni  Ni1  1  0.97  0.0  0.71  1.0
  Ni  Ni2  1  0.0  0.0  0.23  1.0
  Te  Te3  1  0.97  0.0  0.98  1.0

data_CdNi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.94
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Te
_chemical_formula_sum   'Cd1 Ni2 Te1'
_cell_volume   67.41
_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
  Cd  Cd0  1  0.75  0.0  0.75  1.0
  Ni  Ni1  1  0.29  0.97  0.29  1.0
  Ni  Ni2  1  0.77  0.0  0.77  1.0
  Te  Te3  1  0.02  0.97  0.02  1.0

Cd Ni Ni Te