data_[Ca8Er4Te16]
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 [Cmcm]
_cell_length_a [4.2083]
_cell_length_b [14.7602]
_cell_length_c [15.1333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca2ErTe4]
_chemical_formula_sum '[Ca8 Er4 Te16]'
_cell_volume [939.9974]
_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
[
  Ca  Ca0  8  0.0000  0.1365  0.0730  1
  Er  Er1  4  0.0000  0.3801  0.2500  1
  Te  Te2  8  0.0000  0.2102  0.6242  1
  Te  Te3  4  0.0000  0.0301  0.2500  1
  Te  Te4  4  0.0000  0.5000  0.0000  1
]