data_[Y6Te2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8511]
_cell_length_b [4.1659]
_cell_length_c [9.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3TeP]
_chemical_formula_sum '[Y6 Te2 P2]'
_cell_volume [265.5576]
_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
[
  Y  Y0  2  0.0109  0.2500  0.6586  1
  Y  Y1  2  0.3016  0.7500  0.9148  1
  Y  Y2  2  0.4833  0.7500  0.3397  1
  Te  Te3  2  0.2075  0.2500  0.1536  1
  P  P4  2  0.2588  0.7500  0.5929  1
]