data_[Ca8Ge4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8523]
_cell_length_b [18.9819]
_cell_length_c [6.2307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2GeP2]
_chemical_formula_sum '[Ca8 Ge4 P8]'
_cell_volume [455.6099]
_cell_formula_units_Z [4]
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  4  0.0000  0.0359  0.2536  1.0
  Ca  Ca1  4  0.0000  0.1950  0.5524  1.0
  Ge  Ge2  4  0.0000  0.3886  0.4467  1.0
  P  P3  4  0.0000  0.1873  0.0370  1.0
  P  P4  4  0.0000  0.4198  0.0759  1.0
]