data_[Cu2Ge4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [3.9469]
_cell_length_b [10.8182]
_cell_length_c [5.3275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(GeP)2]
_chemical_formula_sum '[Cu2 Ge4 P4]'
_cell_volume [212.9191]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1
  Ge  Ge1  4  0.0000  0.1671  0.5000  1
  P  P2  4  0.0546  0.5000  0.3082  1
]