data_[Cs1Ca1Te1H1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0395]
_cell_length_b [5.0395]
_cell_length_c [7.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsCaTeH]
_chemical_formula_sum '[Cs1 Ca1 Te1 H1]'
_cell_volume [156.6422]
_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
[
  Cs  Cs0  1  0.3333  0.6667  0.4722  1
  Ca  Ca1  1  0.6667  0.3333  0.0013  1
  Te  Te2  1  0.0000  0.0000  0.8637  1
  H  H3  1  0.6667  0.3333  0.3039  1
]