data_Sr2CaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   6.37
_cell_angle_alpha   114.39
_cell_angle_beta   114.39
_cell_angle_gamma   33.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaMg
_chemical_formula_sum   'Sr2 Ca1 Mg1'
_cell_volume   171.03
_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
  Sr  Sr2  1  0.99  0.0  0.53  1.0
  Sr  Sr3  1  0.89  0.0  0.49  1.0
  Ca  Ca0  1  0.05  0.0  0.01  1.0
  Mg  Mg1  1  0.33  0.0  0.33  1.0

data_Sr2CaMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   6.37
_cell_length_c   7.34
_cell_angle_alpha   114.39
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaMg
_chemical_formula_sum   'Sr2 Ca1 Mg1'
_cell_volume   171.03
_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
  Sr  Sr0  1  0.0  0.49  0.89  1.0
  Sr  Sr1  1  0.0  0.53  0.99  1.0
  Ca  Ca2  1  0.0  0.01  0.05  1.0
  Mg  Mg3  1  0.0  0.33  0.33  1.0

Sr Sr Ca Mg