data_Te2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   33.19
_cell_angle_beta   33.19
_cell_angle_gamma   33.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2AsP
_chemical_formula_sum   'Te2 As1 P1'
_cell_volume   98.69
_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  Te2  1  0.0  0.0  0.15  1.0
  Te  Te3  1  0.0  0.0  0.18  1.0
  As  As0  1  0.0  0.0  0.17  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Te2AsP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   4.1
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   109.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te2AsP
_chemical_formula_sum   'Te4 As2 P2'
_cell_volume   197.37
_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  -0.0  0.0  0.82  1.0
  Te  Te1  2  -0.0  0.0  0.85  1.0
  As  As2  2  -0.0  0.0  0.83  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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