data_[Ca2Ag1Te1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5329]
_cell_length_b [5.6932]
_cell_length_c [5.8563]
_cell_angle_alpha [117.2222]
_cell_angle_beta [118.0404]
_cell_angle_gamma [90.0794]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2AgTeO6]
_chemical_formula_sum '[Ca2 Ag1 Te1 O6]'
_cell_volume [139.1730]
_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  0.4642  0.3894  0.9205  1.0
  Ca  Ca1  1  0.9616  0.9110  0.9334  1.0
  Ag  Ag2  1  0.1916  0.5713  0.3916  1.0
  Te  Te3  1  0.6804  0.0413  0.3623  1.0
  O  O4  1  0.3634  0.8102  0.9445  1.0
  O  O5  1  0.4250  0.2526  0.4533  1.0
  O  O6  1  0.5679  0.7773  0.4528  1.0
  O  O7  1  0.8052  0.2554  0.2317  1.0
  O  O8  1  0.8817  0.7731  0.2134  1.0
  O  O9  1  0.9976  0.2337  0.7733  1.0
]