data_[Ca1Sm1Ho2Te4]
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 [P2/m]
_cell_length_a [7.6092]
_cell_length_b [4.3796]
_cell_length_c [7.6511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaSm(HoTe2)2]
_chemical_formula_sum '[Ca1 Sm1 Ho2 Te4]'
_cell_volume [240.7703]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  1  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  1  0.5000  0.0000  0.5000  1.0
  Ho  Ho3  1  0.5000  0.5000  0.0000  1.0
  Te  Te4  2  0.2565  0.5000  0.2508  1.0
  Te  Te5  2  0.2568  0.0000  0.7545  1.0
]