data_NiTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe5
_chemical_formula_sum   'Ni1 Te5'
_cell_volume   164.46
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.16  0.0  0.94  1.0
  Te  Te2  1  0.92  0.59  0.94  1.0
  Te  Te3  1  0.42  0.47  0.94  1.0
  Te  Te4  1  0.5  0.02  0.0  1.0
  Te  Te5  1  0.0  0.04  0.0  1.0

data_NiTe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe5
_chemical_formula_sum   'Ni1 Te5'
_cell_volume   164.46
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  -0.0  0.5  0.02  1.0
  Te  Te2  1  -0.0  0.0  0.04  1.0
  Te  Te3  1  0.94  0.16  0.0  1.0
  Te  Te4  1  0.94  0.42  0.47  1.0
  Te  Te5  1  0.94  0.92  0.59  1.0

Ni Te Te Te Te Te