data_BeAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   113.68
_cell_angle_beta   113.68
_cell_angle_gamma   101.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Ir
_chemical_formula_sum   'Be1 As2 Ir1'
_cell_volume   60.21
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.35  0.36  1.0
  As  As1  1  0.35  0.0  0.36  1.0
  Ir  Ir3  1  0.0  0.0  0.72  1.0

data_BeAs2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   6.65
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   129.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAs2Ir
_chemical_formula_sum   'Be2 As4 Ir2'
_cell_volume   120.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.0  1.0
  As  As1  4  0.32  0.32  0.64  1.0
  Ir  Ir2  2  0.0  0.0  0.28  1.0

Be As As Ir
Be As As Ir 0 3 o o - 0 1 o o o 0 2 o o o 