data_[Y10Te2P8]
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 [Immm]
_cell_length_a [4.0564]
_cell_length_b [5.8053]
_cell_length_c [20.5061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y5TeP4]
_chemical_formula_sum '[Y10 Te2 P8]'
_cell_volume [482.8936]
_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  4  0.0000  0.5000  0.1982  1
  Y  Y1  4  0.0000  0.5000  0.3861  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
  P  P4  4  0.0000  0.0000  0.2041  1
  P  P5  4  0.0000  0.0000  0.4003  1
]