data_[Ca8As2P2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.5362]
_cell_length_b [4.5362]
_cell_length_c [15.3549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ca4AsPO]
_chemical_formula_sum '[Ca8 As2 P2 O2]'
_cell_volume [315.9621]
_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  4  0.0000  0.5000  0.4982  1.0
  Ca  Ca1  2  0.0000  0.0000  0.1779  1.0
  Ca  Ca2  2  0.0000  0.0000  0.8305  1.0
  As  As3  2  0.0000  0.0000  0.6379  1.0
  P  P4  2  0.0000  0.0000  0.3648  1.0
  O  O5  2  0.0000  0.0000  0.9925  1.0
]