data_[Ca6Ho4Tm2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  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 [19.3077]
_cell_length_b [4.3685]
_cell_length_c [8.8743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Ho2TmTe6]
_chemical_formula_sum '[Ca6 Ho4 Tm2 Te12]'
_cell_volume [724.7250]
_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  0.1674  0.0000  0.8339  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  4  0.1687  0.0000  0.3372  1.0
  Tm  Tm3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0020  0.0000  0.2441  1.0
  Te  Te5  4  0.1640  0.5000  0.0872  1.0
  Te  Te6  4  0.1671  0.5000  0.5811  1.0
]