data_[Cu2Si2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4986]
_cell_length_b [3.1741]
_cell_length_c [6.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuSiP2]
_chemical_formula_sum '[Cu2 Si2 P4]'
_cell_volume [121.4742]
_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
[
  Si  Si0  2  0.0063  0.5000  0.5030  1
  Cu  Cu1  2  0.2388  0.5000  0.2382  1
  P  P2  2  0.3079  0.0000  0.7421  1
  P  P3  2  0.4470  0.5000  0.0167  1
]