data_[Ca2Te3O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5668]
_cell_length_b [6.4766]
_cell_length_c [6.6755]
_cell_angle_alpha [116.4328]
_cell_angle_beta [96.6268]
_cell_angle_gamma [104.5469]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2Te3O8]
_chemical_formula_sum '[Ca2 Te3 O8]'
_cell_volume [201.3133]
_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  0.3374  0.5750  0.2360  1
  Ca  Ca1  1  0.6675  0.4444  0.7274  1
  Te  Te2  1  0.0020  0.9619  0.2566  1
  Te  Te3  1  0.5040  0.0640  0.0072  1
  Te  Te4  1  0.9539  0.9726  0.7308  1
  O  O5  1  0.0622  0.7907  0.4269  1
  O  O6  1  0.0710  0.7086  0.0016  1
  O  O7  1  0.4143  0.2845  0.9031  1
  O  O8  1  0.4846  0.2658  0.3105  1
  O  O9  1  0.6104  0.7473  0.6214  1
  O  O10  1  0.6392  0.8002  0.1230  1
  O  O11  1  0.8734  0.2193  0.0512  1
  O  O12  1  0.8800  0.1657  0.6042  1
]