data_YMgMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.02
_cell_angle_alpha   106.6
_cell_angle_beta   106.6
_cell_angle_gamma   33.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgMn2
_chemical_formula_sum   'Y1 Mg1 Mn2'
_cell_volume   78.3
_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
  Y  Y3  1  0.57  0.0  0.62  1.0
  Mg  Mg0  1  0.35  0.0  0.92  1.0
  Mn  Mn1  1  0.21  0.0  0.09  1.0
  Mn  Mn2  1  0.77  0.0  0.55  1.0

data_YMgMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.02
_cell_length_c   5.46
_cell_angle_alpha   106.6
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgMn2
_chemical_formula_sum   'Y1 Mg1 Mn2'
_cell_volume   78.3
_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
  Y  Y0  1  0.0  0.62  0.57  1.0
  Mg  Mg1  1  0.0  0.92  0.35  1.0
  Mn  Mn2  1  0.0  0.09  0.21  1.0
  Mn  Mn3  1  0.0  0.55  0.77  1.0

Y Mg Mn Mn
Y Mg Mn Mn 0 3 o o o 1 2 o o + 