data_BaMn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   3.25
_cell_angle_alpha   102.42
_cell_angle_beta   102.42
_cell_angle_gamma   112.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2In
_chemical_formula_sum   'Ba1 Mn2 In1'
_cell_volume   104.48
_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  0.4  0.0  0.0  1.0
  Mn  Mn2  1  0.07  0.57  0.5  1.0
  Mn  Mn3  1  0.07  0.43  0.5  1.0
  In  In1  1  0.0  0.0  0.0  1.0

data_BaMn2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   112.98
_cell_angle_beta   102.42
_cell_angle_gamma   102.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2In
_chemical_formula_sum   'Ba1 Mn2 In1'
_cell_volume   104.48
_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  0.4  0.0  1.0
  Mn  Mn1  1  0.5  0.07  0.43  1.0
  Mn  Mn2  1  0.5  0.07  0.57  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Ba Mn Mn In