data_TcNiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   141.09
_cell_angle_beta   141.09
_cell_angle_gamma   56.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiTe
_chemical_formula_sum   'Tc1 Ni1 Te1'
_cell_volume   47.23
_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
  Tc  Tc1  1  0.0  0.0  0.91  1.0
  Ni  Ni0  1  0.0  0.0  0.03  1.0
  Te  Te2  1  0.0  0.0  0.77  1.0

data_TcNiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   118.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcNiTe
_chemical_formula_sum   'Tc2 Ni2 Te2'
_cell_volume   94.46
_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
  Tc  Tc0  2  0.41  0.5  0.91  1.0
  Ni  Ni1  2  0.03  0.0  0.03  1.0
  Te  Te2  2  0.27  0.5  0.77  1.0

Tc Ni Te