data_MgBe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.82
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBe2Co
_chemical_formula_sum   'Mg1 Be2 Co1'
_cell_volume   44.24
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.34  0.41  0.79  1.0
  Be  Be1  1  0.31  0.41  0.93  1.0
  Co  Co2  1  0.95  0.0  0.86  1.0

data_MgBe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.82
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBe2Co
_chemical_formula_sum   'Mg1 Be2 Co1'
_cell_volume   44.24
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.31  0.41  0.93  1.0
  Be  Be2  1  0.34  0.41  0.79  1.0
  Co  Co3  1  0.95  0.0  0.86  1.0

Mg Be Be Co