data_[Ca2Y6Er4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0612]
_cell_length_b [4.3629]
_cell_length_c [8.7607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaY3(ErTe3)2]
_chemical_formula_sum '[Ca2 Y6 Er4 Te12]'
_cell_volume [707.8231]
_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  2  0.0000  0.5000  0.0000  1
  Y  Y1  4  0.1647  0.0000  0.8225  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Er  Er3  4  0.1704  0.0000  0.3405  1
  Te  Te4  4  0.0034  0.0000  0.2523  1
  Te  Te5  4  0.1658  0.5000  0.5786  1
  Te  Te6  4  0.1682  0.5000  0.0845  1
]