data_ScTa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.81
_cell_angle_alpha   112.84
_cell_angle_beta   112.84
_cell_angle_gamma   40.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Te
_chemical_formula_sum   'Sc1 Ta2 Te1'
_cell_volume   79.61
_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  Sc0  1  0.05  0.0  0.33  1.0
  Ta  Ta1  1  0.1  0.0  0.0  1.0
  Ta  Ta2  1  0.88  0.0  0.11  1.0
  Te  Te3  1  0.96  0.0  0.13  1.0

data_ScTa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.81
_cell_length_c   5.31
_cell_angle_alpha   112.84
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Te
_chemical_formula_sum   'Sc1 Ta2 Te1'
_cell_volume   79.61
_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  Sc0  1  0.0  0.33  0.05  1.0
  Ta  Ta1  1  0.0  0.0  0.1  1.0
  Ta  Ta2  1  0.0  0.11  0.88  1.0
  Te  Te3  1  0.0  0.13  0.96  1.0

Sc Ta Ta Te