data_MnBeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   4.95
_cell_angle_alpha   106.37
_cell_angle_beta   106.37
_cell_angle_gamma   32.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeSn2
_chemical_formula_sum   'Mn1 Be1 Sn2'
_cell_volume   73.28
_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  Mn1  1  0.12  0.0  0.63  1.0
  Be  Be0  1  0.86  0.0  0.29  1.0
  Sn  Sn2  1  0.78  0.0  0.45  1.0
  Sn  Sn3  1  0.54  0.0  0.46  1.0

data_MnBeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.95
_cell_length_c   5.4
_cell_angle_alpha   106.37
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeSn2
_chemical_formula_sum   'Mn1 Be1 Sn2'
_cell_volume   73.28
_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  0.63  0.12  1.0
  Be  Be1  1  0.0  0.29  0.86  1.0
  Sn  Sn2  1  0.0  0.45  0.78  1.0
  Sn  Sn3  1  0.0  0.46  0.54  1.0

Mn Be Sn Sn
Mn Be Sn Sn 0 2 - o o 0 1 - o o 1 2 o o o 2 3 o o o 