data_[Ba2Zr4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7480]
_cell_length_b [3.7097]
_cell_length_c [7.2466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaZr2Te]
_chemical_formula_sum '[Ba2 Zr4 Te2]'
_cell_volume [258.6533]
_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
[
  Ba  Ba0  2  0.4865  0.0000  0.4903  1
  Zr  Zr1  2  0.0113  0.0000  0.9570  1
  Zr  Zr2  2  0.2687  0.0000  0.8730  1
  Te  Te3  2  0.2335  0.5000  0.1796  1
]