data_NaMgCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   145.11
_cell_angle_beta   131.68
_cell_angle_gamma   60.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgCo2
_chemical_formula_sum   'Na1 Mg1 Co2'
_cell_volume   60.32
_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
  Mg  Mg2  1  0.0  0.0  0.5  1.0
  Co  Co0  1  0.0  0.14  0.19  1.0
  Co  Co1  1  0.57  0.0  0.31  1.0

data_NaMgCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.28
_cell_length_c   5.22
_cell_angle_alpha   114.16
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgCo2
_chemical_formula_sum   'Na1 Mg1 Co2'
_cell_volume   60.32
_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
  Mg  Mg1  1  0.5  0.5  0.5  1.0
  Co  Co2  1  0.26  0.69  0.26  1.0
  Co  Co3  1  0.81  0.95  0.95  1.0

Na Mg Co Co