data_[Er4Zr2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5208]
_cell_length_b [4.2529]
_cell_length_c [7.5161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2ZrTe4]
_chemical_formula_sum '[Er4 Zr2 Te8]'
_cell_volume [436.2076]
_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
[
  Er  Er0  4  0.2499  0.0000  0.2338  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.1141  0.0000  0.7810  1.0
  Te  Te3  4  0.1211  0.5000  0.2927  1.0
]