data_BaY2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   131.1
_cell_angle_beta   131.1
_cell_angle_gamma   71.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2Mn
_chemical_formula_sum   'Ba1 Y2 Mn1'
_cell_volume   114.23
_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
  Ba  Ba0  1  0.0  0.44  0.39  1.0
  Y  Y2  1  0.44  0.0  0.39  1.0
  Y  Y3  1  0.0  0.0  0.79  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0

data_BaY2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.9
_cell_angle_alpha   114.45
_cell_angle_beta   114.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2Mn
_chemical_formula_sum   'Ba1 Y2 Mn1'
_cell_volume   114.23
_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
  Ba  Ba0  1  0.05  0.44  0.05  1.0
  Y  Y1  1  0.21  0.0  0.21  1.0
  Y  Y2  1  0.61  0.0  0.05  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

Ba Y Y Mn