data_ZrNiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.47
_cell_length_c   3.44
_cell_angle_alpha   75.28
_cell_angle_beta   68.79
_cell_angle_gamma   35.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiTe
_chemical_formula_sum   'Zr1 Ni1 Te1'
_cell_volume   58.26
_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
  Zr  Zr2  1  0.19  0.66  0.51  1.0
  Ni  Ni0  1  0.19  0.66  0.04  1.0
  Te  Te1  1  0.19  0.66  0.48  1.0

data_ZrNiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   10.02
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   129.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrNiTe
_chemical_formula_sum   'Zr2 Ni2 Te2'
_cell_volume   116.52
_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
  Zr  Zr0  2  0.14  0.5  0.3  1.0
  Ni  Ni1  2  0.12  0.0  0.78  1.0
  Te  Te2  2  0.18  0.5  0.34  1.0

Zr Ni Te
Zr Ni Te 0 2 o o o 0 1 o o + 0 1 o o o 1 2 o o o 