data_[Ca4As2O8F2]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5927]
_cell_length_b [3.0968]
_cell_length_c [7.8415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2AsO4F]
_chemical_formula_sum '[Ca4 As2 O8 F2]'
_cell_volume [206.6694]
_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  0.1635  0.0000  0.7328  1
  As  As1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.1072  0.5000  0.9414  1
  O  O3  4  0.1500  0.0000  0.2388  1
  F  F4  2  0.0000  0.5000  0.5000  1
]