data_KTeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTeP
_chemical_formula_sum   'K2 Te2 P2'
_cell_volume   204.09
_cell_formula_units_Z   2
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
  K  K0  1  0.74  0.0  0.4  1.0
  K  K1  1  0.0  0.74  0.39  1.0
  Te  Te4  1  0.74  0.0  0.8  1.0
  Te  Te5  1  0.0  0.74  0.99  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.74  0.74  0.0  1.0

data_KTeP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTeP
_chemical_formula_sum   'K4 Te4 P4'
_cell_volume   408.18
_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+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
  K  K0  2  0.0  0.0  0.39  1.0
  K  K1  2  0.24  0.5  0.4  1.0
  Te  Te2  2  0.0  0.0  0.99  1.0
  Te  Te3  2  0.24  0.5  0.8  1.0
  P  P4  4  0.37  0.37  0.0  1.0

K K Te Te P P
K K Te Te P P 0 1 + - o 2 5 o - + 2 4 + o + 3 5 - o + 3 4 o + + 