data_[Rb2Ca1Hf1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8386]
_cell_length_b [4.4201]
_cell_length_c [8.8464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2CaHfTe4]
_chemical_formula_sum '[Rb2 Ca1 Hf1 Te4]'
_cell_volume [294.2517]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.5000  1.0
  Rb  Rb1  1  0.5000  0.0000  0.5000  1.0
  Ca  Ca2  1  0.5000  0.5000  0.0000  1.0
  Hf  Hf3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2098  0.5000  0.1905  1.0
  Te  Te5  2  0.2424  0.0000  0.8043  1.0
]