data_Te3MoP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.64
_cell_length_b   10.64
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3MoP3
_chemical_formula_sum   'Te6 Mo2 P6'
_cell_volume   420.51
_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
  Te  Te8  1  0.87  0.39  0.07  1.0
  Te  Te9  1  0.62  0.04  0.07  1.0
  Te  Te10  1  0.51  1.0  0.07  1.0
  Te  Te11  1  0.45  0.83  0.22  1.0
  Te  Te12  1  0.7  0.17  0.22  1.0
  Te  Te13  1  0.81  0.22  0.22  1.0
  Mo  Mo0  1  0.0  0.14  0.07  1.0
  Mo  Mo1  1  0.32  0.07  0.22  1.0
  P  P2  1  0.52  0.13  0.07  1.0
  P  P3  1  0.52  0.28  0.07  1.0
  P  P4  1  0.95  0.03  0.07  1.0
  P  P5  1  0.8  0.09  0.22  1.0
  P  P6  1  0.8  0.94  0.22  1.0
  P  P7  1  0.37  0.19  0.22  1.0

data_Te3MoP3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.29
_cell_length_b   10.64
_cell_length_c   10.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Te3MoP3
_chemical_formula_sum   'Te6 Mo2 P6'
_cell_volume   420.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Te  Te0  2  0.07  0.29  0.72  1.0
  Te  Te1  2  0.07  0.54  0.06  1.0
  Te  Te2  2  0.07  0.65  0.11  1.0
  Mo  Mo3  2  0.07  0.16  0.96  1.0
  P  P4  2  0.07  0.21  0.08  1.0
  P  P5  2  0.07  0.64  0.98  1.0
  P  P6  2  0.07  0.64  0.83  1.0

Te Te Te Te Te Te Mo Mo P P P P P P
Te Te Te Te Te Te Mo Mo P P P P P P 0 5 o o o 1 2 o - o 2 3 o o o 2 8 o + o 4 5 o o o 5 11 o o o 6 10 - o o 7 13 o o o 8 9 o o o 9 13 o o o 10 12 o - o 11 12 o - o 