data_ScTe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   140.08
_cell_angle_beta   140.08
_cell_angle_gamma   57.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTe2P
_chemical_formula_sum   'Sc1 Te2 P1'
_cell_volume   93.91
_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  Sc1  1  0.09  0.0  0.68  1.0
  Te  Te2  1  0.0  0.0  0.37  1.0
  Te  Te3  1  0.0  0.09  0.68  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_ScTe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.13
_cell_angle_alpha   109.96
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTe2P
_chemical_formula_sum   'Sc1 Te2 P1'
_cell_volume   93.91
_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  0.32  0.0  0.41  1.0
  Te  Te1  1  0.41  0.09  0.41  1.0
  Te  Te2  1  0.63  0.0  0.63  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sc Te Te P
Sc Te Te P 0 2 o o o 0 1 o o o 0 3 o o + 1 2 o o o 1 3 o o o 2 3 o o + 