data_[Al3Te3P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0787]
_cell_length_b [21.8012]
_cell_length_c [7.4518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al3Te3P]
_chemical_formula_sum '[Al3 Te3 P1]'
_cell_volume [637.5105]
_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  2  0.2885  0.4151  0.8641  1
  Al  Al1  1  0.9612  0.5000  0.2446  1
  Te  Te2  2  0.8068  0.3440  0.8972  1
  Te  Te3  1  0.2935  0.5000  0.5921  1
  P  P4  1  0.3824  0.5000  0.0831  1
]