data_[Sr12Te2As4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4650]
_cell_length_b [4.5596]
_cell_length_c [8.9334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6TeAs2Cl3]
_chemical_formula_sum '[Sr12 Te2 As4 Cl6]'
_cell_volume [779.0535]
_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
[
  Sr  Sr0  4  0.0081  0.0000  0.2606  1.0
  Sr  Sr1  4  0.1701  0.5000  0.1080  1.0
  Sr  Sr2  4  0.1733  0.5000  0.5703  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1661  0.0000  0.3346  1.0
  Cl  Cl5  4  0.1661  0.0000  0.8370  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]