data_ScNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   127.52
_cell_angle_beta   127.52
_cell_angle_gamma   77.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Te
_chemical_formula_sum   'Sc1 Ni2 Te1'
_cell_volume   63.72
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.08  0.84  1.0
  Ni  Ni1  1  0.08  0.0  0.84  1.0
  Te  Te3  1  0.0  0.0  0.67  1.0

data_ScNi2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   128.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScNi2Te
_chemical_formula_sum   'Sc2 Ni4 Te2'
_cell_volume   127.44
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.2  0.04  0.24  1.0
  Te  Te2  2  0.33  0.0  0.33  1.0

Sc Ni Ni Te