data_MnBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   130.76
_cell_angle_beta   130.76
_cell_angle_gamma   72.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiIr2
_chemical_formula_sum   'Mn1 Bi1 Ir2'
_cell_volume   64.02
_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
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.92  1.0
  Ir  Ir1  1  0.0  0.02  0.96  1.0
  Ir  Ir2  1  0.02  0.0  0.96  1.0

data_MnBiIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   126.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBiIr2
_chemical_formula_sum   'Mn2 Bi2 Ir4'
_cell_volume   128.04
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.08  0.0  0.08  1.0
  Ir  Ir2  4  0.05  0.01  0.06  1.0

Mn Bi Ir Ir