data_[Sr3Cr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6588]
_cell_length_b [5.6677]
_cell_length_c [7.5082]
_cell_angle_alpha [67.9877]
_cell_angle_beta [68.1192]
_cell_angle_gamma [60.1750]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr3Cr2O8]
_chemical_formula_sum '[Sr3 Cr2 O8]'
_cell_volume [188.4199]
_cell_formula_units_Z [1]
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  1  0.0434  0.9986  0.9994  1.0
  Sr  Sr1  1  0.2065  0.2015  0.3920  1.0
  Sr  Sr2  1  0.8009  0.7972  0.6082  1.0
  Cr  Cr3  1  0.4092  0.4047  0.7825  1.0
  Cr  Cr4  1  0.5950  0.5939  0.2177  1.0
  O  O5  1  0.2359  0.7650  0.6995  1.0
  O  O6  1  0.2372  0.6904  0.3124  1.0
  O  O7  1  0.2794  0.3206  0.0306  1.0
  O  O8  1  0.3207  0.2325  0.6857  1.0
  O  O9  1  0.6304  0.6853  0.9691  1.0
  O  O10  1  0.7048  0.7674  0.2952  1.0
  O  O11  1  0.7668  0.3062  0.7024  1.0
  O  O12  1  0.7697  0.2366  0.3053  1.0
]