data_[Ca2Tb1Sm1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6448]
_cell_length_b [4.4158]
_cell_length_c [7.8203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2TbSmTe4]
_chemical_formula_sum '[Ca2 Tb1 Sm1 Te4]'
_cell_volume [249.5001]
_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  0.5000  0.5000  1.0
  Ca  Ca1  1  0.5000  0.0000  0.5000  1.0
  Tb  Tb2  1  0.5000  0.5000  0.0000  1.0
  Sm  Sm3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2532  0.5000  0.2499  1.0
  Te  Te5  2  0.2534  0.0000  0.7521  1.0
]