data_Bulk_CaO

_cell_length_a           4.810501
_cell_length_b           4.810501
_cell_length_c           4.810501
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_cell_volume             111.3194

_symmetry_cell_setting             'cubic'
_symmetry_Int_Tables_number         225
_symmetry_space_group_name_H-M     'F m -3 m'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca   Ca1      0.0000    0.0000    0.0000    1.0000
O    O1       0.5000    0.5000    0.5000    1.0000
