data_Ni2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   137.04
_cell_angle_beta   137.04
_cell_angle_gamma   62.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeP
_chemical_formula_sum   'Ni2 Te1 P1'
_cell_volume   59.47
_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  0.33  1.0
  Ni  Ni1  1  0.0  0.85  0.16  1.0
  Te  Te3  1  0.85  0.0  0.16  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Ni2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   5.06
_cell_angle_alpha   111.48
_cell_angle_beta   111.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeP
_chemical_formula_sum   'Ni2 Te1 P1'
_cell_volume   59.47
_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  0.67  0.0  0.67  1.0
  Ni  Ni1  1  0.69  0.85  0.69  1.0
  Te  Te2  1  0.84  0.0  0.69  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ni Ni Te P
Ni Ni Te P 0 2 - o o 0 1 o - o 0 3 o o o 1 3 o + o 2 3 + o o 