data_MnAg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.96
_cell_angle_alpha   101.87
_cell_angle_beta   101.87
_cell_angle_gamma   34.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg2Ir
_chemical_formula_sum   'Mn1 Ag2 Ir1'
_cell_volume   64.47
_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  0.75  0.0  0.35  1.0
  Ag  Ag0  1  0.98  0.0  0.8  1.0
  Ag  Ag1  1  0.48  0.0  0.66  1.0
  Ir  Ir2  1  0.02  0.0  0.3  1.0

data_MnAg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.85
_cell_length_c   4.96
_cell_angle_alpha   101.87
_cell_angle_beta   90.0
_cell_angle_gamma   107.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg2Ir
_chemical_formula_sum   'Mn1 Ag2 Ir1'
_cell_volume   64.47
_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  Mn0  1  0.0  0.25  0.65  1.0
  Ag  Ag1  1  0.0  0.02  0.2  1.0
  Ag  Ag2  1  0.0  0.52  0.34  1.0
  Ir  Ir3  1  0.0  0.98  0.7  1.0

Mn Ag Ag Ir