data_[Sr12As4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9517]
_cell_length_b [24.3182]
_cell_length_c [4.9504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3AsO]
_chemical_formula_sum '[Sr12 As4 O4]'
_cell_volume [596.1177]
_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
[
  Sr  Sr0  4  0.0000  0.0845  0.2500  1.0
  Sr  Sr1  4  0.0000  0.3006  0.7500  1.0
  Sr  Sr2  4  0.0000  0.4170  0.2500  1.0
  As  As3  4  0.0000  0.1700  0.7500  1.0
  O  O4  4  0.0000  0.4014  0.7500  1.0
]