data_KTe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2P
_chemical_formula_sum   'K1 Te2 P1'
_cell_volume   112.3
_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
  K  K0  1  0.0  0.0  0.34  1.0
  Te  Te2  1  0.8  0.8  0.71  1.0
  Te  Te3  1  0.8  0.8  0.97  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_KTe2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTe2P
_chemical_formula_sum   'K2 Te4 P2'
_cell_volume   224.59
_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
  K  K0  2  0.0  0.0  0.34  1.0
  Te  Te1  2  0.3  0.5  0.71  1.0
  Te  Te2  2  0.3  0.5  0.97  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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