data_BaNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.35
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   96.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Te
_chemical_formula_sum   'Ba1 Ni2 Te1'
_cell_volume   92.39
_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
  Ba  Ba0  1  0.33  0.0  0.0  1.0
  Ni  Ni1  1  0.54  0.86  0.86  1.0
  Ni  Ni2  1  0.54  0.14  0.86  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaNi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   96.53
_cell_angle_beta   110.15
_cell_angle_gamma   110.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Te
_chemical_formula_sum   'Ba1 Ni2 Te1'
_cell_volume   92.39
_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
  Ba  Ba0  1  -0.0  0.33  0.0  1.0
  Ni  Ni1  1  0.86  0.54  0.14  1.0
  Ni  Ni2  1  0.86  0.54  0.86  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba Ni Ni Te