data_FeNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   131.87
_cell_angle_beta   131.87
_cell_angle_gamma   70.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Te
_chemical_formula_sum   'Fe1 Ni2 Te1'
_cell_volume   55.01
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.9  0.9  1.0
  Ni  Ni2  1  0.9  0.0  0.9  1.0
  Te  Te3  1  0.0  0.0  0.81  1.0

data_FeNi2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   125.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeNi2Te
_chemical_formula_sum   'Fe2 Ni4 Te2'
_cell_volume   110.02
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.05  0.05  0.0  1.0
  Te  Te2  2  0.0  0.0  0.81  1.0

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