data_[Y12Te6As4P2]
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 [18.5898]
_cell_length_b [4.1801]
_cell_length_c [8.5741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3As2P]
_chemical_formula_sum '[Y12 Te6 As4 P2]'
_cell_volume [643.0357]
_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  0.0056  0.0000  0.2237  1.0
  Y  Y1  4  0.1552  0.5000  0.0962  1.0
  Y  Y2  4  0.1730  0.5000  0.5649  1.0
  Te  Te3  4  0.1682  0.0000  0.8337  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1664  0.0000  0.3321  1.0
  P  P6  2  0.0000  0.5000  0.0000  1.0
]