data_Mn2BeCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.38
_cell_length_b   3.84
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeCr
_chemical_formula_sum   'Mn2 Be1 Cr1'
_cell_volume   41.26
_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  0.11  0.92  0.46  1.0
  Mn  Mn3  1  0.53  0.92  0.07  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.82  0.0  0.26  1.0

data_Mn2BeCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.38
_cell_length_b   3.84
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeCr
_chemical_formula_sum   'Mn2 Be1 Cr1'
_cell_volume   41.26
_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  0.11  0.92  0.46  1.0
  Mn  Mn1  1  0.53  0.92  0.07  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.82  0.0  0.26  1.0

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