data_[Ca2Nb2Ge2Te2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5142]
_cell_length_b [3.5142]
_cell_length_c [16.6526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaNbGeTeP]
_chemical_formula_sum '[Ca2 Nb2 Ge2 Te2 P2]'
_cell_volume [205.6526]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.4686  1
  Nb  Nb1  2  0.0000  0.0000  0.2273  1
  Ge  Ge2  2  0.0000  0.0000  0.6497  1
  Te  Te3  2  0.0000  0.0000  0.8287  1
  P  P4  2  0.0000  0.0000  0.0711  1
]