data_TeAs2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs2P
_chemical_formula_sum   'Te1 As2 P1'
_cell_volume   95.95
_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
  Te  Te3  1  0.7  0.7  0.09  1.0
  As  As0  1  0.0  0.0  0.75  1.0
  As  As1  1  0.7  0.7  0.41  1.0
  P  P2  1  0.0  0.0  0.18  1.0

data_TeAs2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeAs2P
_chemical_formula_sum   'Te2 As4 P2'
_cell_volume   191.9
_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
  Te  Te0  2  0.2  0.5  0.09  1.0
  As  As1  2  0.0  0.0  0.75  1.0
  As  As2  2  0.2  0.5  0.41  1.0
  P  P3  2  0.0  0.0  0.18  1.0

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