data_[Y12Te6As2P4]
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
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1727]
_cell_length_b [12.4398]
_cell_length_c [7.5007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3AsP2]
_chemical_formula_sum '[Y12 Te6 As2 P4]'
_cell_volume [634.3722]
_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  8  0.2405  0.1700  0.2112  1.0
  Y  Y1  4  0.2301  0.5000  0.2100  1.0
  Te  Te2  4  0.0000  0.1647  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
  As  As4  2  0.0000  0.0000  0.0000  1.0
  P  P5  4  0.0000  0.3331  0.0000  1.0
]