data_[Y12Te6P2C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8569]
_cell_length_b [11.8707]
_cell_length_c [7.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3PC2]
_chemical_formula_sum '[Y12 Te6 P2 C4]'
_cell_volume [568.6482]
_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  0.2440  0.1783  0.1969  1.0
  Y  Y1  4  0.2085  0.5000  0.1931  1.0
  Te  Te2  4  0.0000  0.1600  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
  P  P4  2  0.0000  0.0000  0.0000  1.0
  C  C5  4  0.0000  0.3329  0.0000  1.0
]