data_[Ca2Zr1Ti1Ge2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6820]
_cell_length_b [5.7348]
_cell_length_c [7.4074]
_cell_angle_alpha [104.1309]
_cell_angle_beta [104.0702]
_cell_angle_gamma [105.8888]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2ZrTi(GeO5)2]
_chemical_formula_sum '[Ca2 Zr1 Ti1 Ge2 O10]'
_cell_volume [212.3291]
_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  2  0.1827  0.8330  0.7585  1.0
  Zr  Zr1  1  0.5000  0.5000  0.5000  1.0
  Ti  Ti2  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge3  2  0.1680  0.8133  0.2451  1.0
  O  O4  2  0.1409  0.2466  0.9229  1.0
  O  O5  2  0.1734  0.6065  0.3883  1.0
  O  O6  2  0.2302  0.1220  0.4088  1.0
  O  O7  2  0.3885  0.8085  0.1102  1.0
  O  O8  2  0.4243  0.5728  0.7620  1.0
]