data_BeB2C-CELL
_audit_creation_date              2024-10-23
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    3.2500
_cell_length_b                    5.5000
_cell_length_c                    20.0000
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
Be1    Be    0.00000  -0.04253  -0.48593   0.00000  Uiso   1.00
P2     P     0.00000   0.32169  -0.53192   0.00000  Uiso   1.00
P3     P     0.50000   0.54661  -0.50168   0.00000  Uiso   1.00
C4     C     0.50000   0.84083  -0.48469   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Be1    P2      2.204   .     S
Be1    C4      1.747   1_545 S
Be1    C4      1.747   1_445 S
P2     P3      2.130   .     S
P2     P3      2.130   1_455 S
P3     P2      2.130   1_655 S
P3     C4      1.653   .     S
C4     Be1     1.747   1_565 S
C4     Be1     1.747   1_665 S
