data_Al2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   4.57
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   92.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeP
_chemical_formula_sum   'Al2 Te1 P1'
_cell_volume   99.85
_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
  Al  Al0  1  0.5  0.0  0.23  1.0
  Al  Al1  1  0.28  0.29  0.3  1.0
  Te  Te3  1  0.3  0.29  0.23  1.0
  P  P2  1  0.47  0.0  0.54  1.0

data_Al2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.57
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   92.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeP
_chemical_formula_sum   'Al2 Te1 P1'
_cell_volume   99.85
_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
  Al  Al0  1  0.28  0.29  0.3  1.0
  Al  Al1  1  0.5  0.0  0.23  1.0
  Te  Te2  1  0.3  0.29  0.23  1.0
  P  P3  1  0.47  0.0  0.54  1.0

Al Al Te P
Al Al Te P 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 