data_[Ca8Er2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4610]
_cell_length_b [4.4610]
_cell_length_c [31.6894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca4ErTe5]
_chemical_formula_sum '[Ca8 Er2 Te10]'
_cell_volume [630.6325]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.1994  1.0
  Ca  Ca1  4  0.0000  0.0000  0.4008  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.0000  0.0973  1.0
  Te  Te4  4  0.0000  0.0000  0.3005  1.0
  Te  Te5  2  0.0000  0.0000  0.5000  1.0
]