data_[Sr2Cu2P2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.8743]
_cell_length_b [3.7682]
_cell_length_c [7.5032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SrCuPO]
_chemical_formula_sum '[Sr2 Cu2 P2 O2]'
_cell_volume [137.8150]
_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
[
  Sr  Sr0  2  0.2500  0.5000  0.6923  1
  Cu  Cu1  2  0.2500  0.0000  0.2676  1
  P  P2  2  0.0000  0.0000  0.0000  1
  O  O3  2  0.2500  0.5000  0.3734  1
]