data_[Ca4Mg4As4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  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 [Cc]
_cell_length_a [6.7995]
_cell_length_b [9.0547]
_cell_length_c [7.2067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CaMgAsO4F]
_chemical_formula_sum '[Ca4 Mg4 As4 O16 F4]'
_cell_volume [406.8598]
_cell_formula_units_Z [4]
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  0.4972  0.3326  0.7424  1.0
  Mg  Mg1  4  0.4962  0.0008  0.0005  1.0
  As  As2  4  0.4971  0.3210  0.2494  1.0
  O  O3  4  0.1113  0.2858  0.6203  1.0
  O  O4  4  0.1747  0.0606  0.9228  1.0
  O  O5  4  0.3171  0.4391  0.0781  1.0
  O  O6  4  0.3832  0.2140  0.3792  1.0
  F  F7  4  0.4948  0.0823  0.7495  1.0
]