data_Mn2BeIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.74
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeIn
_chemical_formula_sum   'Mn2 Be1 In1'
_cell_volume   57.76
_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  Mn2  1  0.71  0.0  0.12  1.0
  Mn  Mn3  1  0.24  0.87  0.57  1.0
  Be  Be0  1  0.75  0.0  0.37  1.0
  In  In1  1  0.96  0.87  0.1  1.0

data_Mn2BeIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.74
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeIn
_chemical_formula_sum   'Mn2 Be1 In1'
_cell_volume   57.76
_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  0.24  0.87  0.57  1.0
  Mn  Mn1  1  0.71  0.0  0.12  1.0
  Be  Be2  1  0.75  0.0  0.37  1.0
  In  In3  1  0.96  0.87  0.1  1.0

Mn Mn Be In
Mn Mn Be In 0 3 o - o 0 2 o o o 1 2 - + o 