data_NaBe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   150.39
_cell_angle_beta   126.07
_cell_angle_gamma   62.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Co
_chemical_formula_sum   'Na1 Be2 Co1'
_cell_volume   50.57
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.28  0.77  1.0
  Be  Be1  1  0.29  0.0  0.53  1.0
  Co  Co2  1  0.0  0.0  0.3  1.0

data_NaBe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.57
_cell_length_c   5.04
_cell_angle_alpha   116.97
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Co
_chemical_formula_sum   'Na1 Be2 Co1'
_cell_volume   50.57
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.53  0.25  1.0
  Be  Be2  1  0.72  0.48  0.48  1.0
  Co  Co3  1  0.0  0.3  0.3  1.0

Na Be Be Co
Na Be Be Co 0 3 o o o 1 3 o o o 2 3 o o o 