data_[Ca6Te8Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.3984]
_cell_length_b [10.8760]
_cell_length_c [9.4550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca3Te4Pb]
_chemical_formula_sum '[Ca6 Te8 Pb2]'
_cell_volume [657.9604]
_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
[
  Ca  Ca0  4  0.0000  0.2503  0.3330  1
  Ca  Ca1  2  0.0000  0.5000  0.8351  1
  Te  Te2  4  0.0000  0.2551  0.6633  1
  Te  Te3  2  0.0000  0.0000  0.1710  1
  Te  Te4  2  0.0000  0.5000  0.1667  1
  Pb  Pb5  2  0.0000  0.0000  0.8322  1
]