data_[Ca6Er4Tm2Te12]
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
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2760]
_cell_length_b [4.3589]
_cell_length_c [8.8799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Er2TmTe6]
_chemical_formula_sum '[Ca6 Er4 Tm2 Te12]'
_cell_volume [722.4466]
_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  0.1671  0.0000  0.8333  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.1674  0.0000  0.3349  1.0
  Tm  Tm3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0019  0.0000  0.2446  1.0
  Te  Te5  4  0.1642  0.5000  0.0874  1.0
  Te  Te6  4  0.1681  0.5000  0.5797  1.0
]