data_Mn2BeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   141.23
_cell_angle_beta   141.23
_cell_angle_gamma   55.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeCl
_chemical_formula_sum   'Mn2 Be1 Cl1'
_cell_volume   57.93
_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  0.0  0.0  0.68  1.0
  Mn  Mn3  1  0.0  0.76  0.34  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.76  0.0  0.34  1.0

data_Mn2BeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   5.3
_cell_angle_alpha   109.38
_cell_angle_beta   109.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeCl
_chemical_formula_sum   'Mn2 Be1 Cl1'
_cell_volume   57.93
_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  0.58  0.34  0.58  1.0
  Mn  Mn1  1  0.68  0.68  0.68  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.34  0.58  0.58  1.0

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