data_MnBeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeCo2
_chemical_formula_sum   'Mn1 Be1 Co2'
_cell_volume   39.44
_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  Mn3  1  0.24  0.24  0.29  1.0
  Be  Be0  1  0.0  0.0  0.84  1.0
  Co  Co1  1  0.24  0.24  0.27  1.0
  Co  Co2  1  0.0  0.0  0.61  1.0

data_MnBeCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBeCo2
_chemical_formula_sum   'Mn2 Be2 Co4'
_cell_volume   78.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.24  0.0  0.29  1.0
  Be  Be1  2  0.0  0.0  0.84  1.0
  Co  Co2  2  0.0  0.0  0.61  1.0
  Co  Co3  2  0.24  0.0  0.27  1.0

Mn Be Co Co
Mn Be Co Co 0 2 o o o 1 3 o o o 