data_Honeycomb-NaIrO3

_pd_phase_name                   NaIrO3
_cell_length_a                   5.2808(3)
_cell_length_b                   5.2870(3)
_cell_length_c                   6.0014(3)
_cell_angle_alpha                90.002(9)
_cell_angle_beta                 115.762(6)
_cell_angle_gamma                60.112(5)
_cell_volume                     125.70(2)
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_symmetry_cell_setting           triclinic
_diffrn_measurement_device_type  X-Ray
_diffrn_ambient_temperature      297

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Ir1 1.0 0.1641(5) 0.1562(6) 0.0098(2) Biso 0.16(2) Ir
Na1 1.0 0.500000 0.500000 0.000000 Biso 0.47(9) Na
Na2 0.5 0.210(4) 0.663(4) 0.563(2) Biso 0.47(9) Na
O1 1.0 0.948(2) 0.468(2) 0.153(2) Biso 1.1(1) O
O2 1.0 0.239(2) 0.844(2) 0.206(2) Biso 1.1(1) O
O3 1.0 0.639(3) 0.103(3) 0.190(2) Biso 1.1(1) O
