data_[Ca2Sm6Ho4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4222]
_cell_length_b [4.4118]
_cell_length_c [8.8405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaSm3(HoTe3)2]
_chemical_formula_sum '[Ca2 Sm6 Ho4 Te12]'
_cell_volume [732.9115]
_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  1.0
  Sm  Sm1  4  0.1644  0.0000  0.8235  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  4  0.1699  0.0000  0.3399  1.0
  Te  Te4  4  0.0041  0.0000  0.2484  1.0
  Te  Te5  4  0.1668  0.5000  0.0869  1.0
  Te  Te6  4  0.1671  0.5000  0.5762  1.0
]