data_[Na4Mg4Zr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1943]
_cell_length_b [4.2061]
_cell_length_c [14.8736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaMgZrTe3]
_chemical_formula_sum '[Na4 Mg4 Zr4 Te12]'
_cell_volume [700.3176]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.2284  0.2500  0.0125  1
  Mg  Mg1  4  0.2352  0.7500  0.2207  1
  Zr  Zr2  4  0.0188  0.7500  0.7454  1
  Te  Te3  4  0.0331  0.7500  0.1161  1
  Te  Te4  4  0.0677  0.2500  0.6092  1
  Te  Te5  4  0.2338  0.2500  0.3409  1
]