data_MnBe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.34
_cell_length_b   2.34
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Co
_chemical_formula_sum   'Mn1 Be2 Co1'
_cell_volume   38.6
_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  0.0  0.0  0.79  1.0
  Be  Be0  1  0.36  0.0  0.38  1.0
  Be  Be1  1  0.0  0.0  0.61  1.0
  Co  Co2  1  0.36  0.0  0.82  1.0

data_MnBe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.34
_cell_length_b   2.34
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Co
_chemical_formula_sum   'Mn1 Be2 Co1'
_cell_volume   38.6
_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  0.0  0.79  1.0
  Be  Be1  1  0.0  0.0  0.61  1.0
  Be  Be2  1  0.36  0.0  0.38  1.0
  Co  Co3  1  0.36  0.0  0.82  1.0

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