data_[Y12Te8P4]
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 [C2/c]
_cell_length_a [7.5276]
_cell_length_b [12.6915]
_cell_length_c [7.2608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3Te2P]
_chemical_formula_sum '[Y12 Te8 P4]'
_cell_volume [653.1763]
_cell_formula_units_Z [4]
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  8  0.2043  0.4292  0.4932  1
  Y  Y1  4  0.2500  0.2500  0.0000  1
  Te  Te2  4  0.0000  0.0791  0.7500  1
  Te  Te3  4  0.0000  0.2381  0.2500  1
  P  P4  4  0.0000  0.4092  0.7500  1
]