data_Na2CaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.34
_cell_angle_alpha   100.61
_cell_angle_beta   100.61
_cell_angle_gamma   34.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaMg
_chemical_formula_sum   'Na2 Ca1 Mg1'
_cell_volume   134.9
_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  Na2  1  0.53  0.0  0.21  1.0
  Na  Na3  1  0.52  0.0  0.49  1.0
  Ca  Ca0  1  0.34  0.0  0.23  1.0
  Mg  Mg1  1  0.03  0.0  0.63  1.0

data_Na2CaMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   6.18
_cell_length_c   6.34
_cell_angle_alpha   100.61
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaMg
_chemical_formula_sum   'Na2 Ca1 Mg1'
_cell_volume   134.9
_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  0.47  0.79  1.0
  Na  Na1  1  0.0  0.48  0.51  1.0
  Ca  Ca2  1  0.0  0.66  0.77  1.0
  Mg  Mg3  1  0.0  0.97  0.37  1.0

Na Na Ca Mg