data_K2Te2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   145.86
_cell_angle_beta   105.45
_cell_angle_gamma   84.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Te2P
_chemical_formula_sum   'K2 Te2 P1'
_cell_volume   169.77
_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  0.15  0.09  1.0
  K  K1  1  0.01  0.0  0.98  1.0
  Te  Te3  1  0.01  0.93  0.0  1.0
  Te  Te4  1  0.0  0.22  0.07  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_K2Te2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   74.55
_cell_angle_beta   72.93
_cell_angle_gamma   72.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Te2P
_chemical_formula_sum   'K2 Te2 P1'
_cell_volume   169.77
_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  0.09  -0.0  0.06  1.0
  K  K1  1  0.97  0.01  0.02  1.0
  Te  Te2  1  0.07  -0.0  0.15  1.0
  Te  Te3  1  0.99  0.01  0.93  1.0
  P  P4  1  0.0  0.0  0.0  1.0

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