data_ScTe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   109.91
_cell_angle_beta   109.91
_cell_angle_gamma   108.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTe2P
_chemical_formula_sum   'Sc1 Te2 P1'
_cell_volume   103.37
_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  0.0  0.0  0.99  1.0
  Te  Te2  1  0.94  0.0  0.0  1.0
  Te  Te3  1  0.0  0.94  0.0  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_ScTe2P
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   ScTe2P
_chemical_formula_sum   'Sc4 Te8 P4'
_cell_volume   413.46
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
  9  'x+1/2, y, z+1/2'
  10  '-x+1/2, -y, z+1/2'
  11  '-x+1/2, y, z+1/2'
  12  'x+1/2, -y, z+1/2'
  13  'x+1/2, y+1/2, z'
  14  '-x+1/2, -y+1/2, z'
  15  '-x+1/2, y+1/2, z'
  16  '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  4  0.0  0.0  0.0  1.0
  Te  Te1  8  0.03  0.0  0.04  1.0
  P  P2  4  0.0  0.0  0.01  1.0

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