data_[Ca4Sb2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2520]
_cell_length_b [4.0522]
_cell_length_c [5.0190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2SbTe]
_chemical_formula_sum '[Ca4 Sb2 Te2]'
_cell_volume [248.0350]
_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  2  0.0059  0.0000  0.1145  1
  Ca  Ca1  2  0.2438  0.0000  0.6372  1
  Sb  Sb2  2  0.0048  0.5000  0.6144  1
  Te  Te3  2  0.2455  0.5000  0.1339  1
]