data_[La4Zr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9769]
_cell_length_b [6.6561]
_cell_length_c [11.5684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaZrTe3]
_chemical_formula_sum '[La4 Zr4 Te12]'
_cell_volume [687.9516]
_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
[
  La  La0  4  0.2926  0.1863  0.2313  1
  Zr  Zr1  4  0.0690  0.7251  0.0615  1
  Te  Te2  4  0.0474  0.6154  0.8201  1
  Te  Te3  4  0.2214  0.0837  0.9661  1
  Te  Te4  4  0.3738  0.6449  0.1582  1
]