# This file was generated by FINDSYM
# Harold T. Stokes, Branton J. Campbell, Dorian M. Hatch
# Brigham Young University, Provo, Utah, USA
 
data_findsym-output
_audit_creation_method FINDSYM
 
_symmetry_space_group_name_H-M "P c a 21"
_symmetry_Int_Tables_number 29
 
_cell_length_a    8.25958
_cell_length_b    8.46910
_cell_length_c    7.15009
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -x+1/2,y,z+1/2
4 x+1/2,-y,z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C1  C    4 a 0.11085  0.51104 0.63746  1.00000
C2  C    4 a 0.63842  0.00654 0.36309  1.00000
Ca1 Ca   4 a 0.14971  0.23428 -0.01759 1.00000
Ca2 Ca   4 a 0.89798  0.26627 0.51499  1.00000
O1  O    4 a -0.01674 0.53478 0.54684  1.00000
O2  O    4 a 0.76257  0.03295 0.46017  1.00000
O3  O    4 a 0.69173  0.37269 0.70537  1.00000
O4  O    4 a 0.10420  0.14171 0.32166  1.00000
O5  O    4 a -0.05044 0.12078 0.80721  1.00000
O6  O    4 a 0.65429  0.63652 0.66067  1.00000
 

