data_[Cs2Ca2Er2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [10.0251]
_cell_length_b [4.7217]
_cell_length_c [11.5532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaErTe3]
_chemical_formula_sum '[Cs2 Ca2 Er2 Te6]'
_cell_volume [512.4432]
_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
[
  Cs  Cs0  2  0.2313  0.2500  0.2502  1
  Ca  Ca1  2  0.0932  0.2500  0.6242  1
  Er  Er2  2  0.3328  0.7500  0.8836  1
  Te  Te3  2  0.1277  0.2500  0.8906  1
  Te  Te4  2  0.2281  0.7500  0.5511  1
  Te  Te5  2  0.4855  0.7500  0.1562  1
]