data_GaNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   4.34
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Te
_chemical_formula_sum   'Ga1 Ni2 Te1'
_cell_volume   69.87
_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
  Ga  Ga0  1  0.16  0.0  0.6  1.0
  Ni  Ni1  1  0.31  0.17  0.02  1.0
  Ni  Ni2  1  0.12  0.0  0.01  1.0
  Te  Te3  1  0.25  0.17  0.72  1.0

data_GaNi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.34
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Te
_chemical_formula_sum   'Ga1 Ni2 Te1'
_cell_volume   69.87
_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
  Ga  Ga0  1  0.16  0.0  0.6  1.0
  Ni  Ni1  1  0.12  0.0  0.01  1.0
  Ni  Ni2  1  0.31  0.17  0.02  1.0
  Te  Te3  1  0.25  0.17  0.72  1.0

Ga Ni Ni Te
Ga Ni Ni Te 0 3 o o o 1 2 o o o 