data_CaMgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   3.46
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   112.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgZn2
_chemical_formula_sum   'Ca1 Mg1 Zn2'
_cell_volume   94.83
_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
  Ca  Ca0  1  0.86  0.73  0.7  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.39  0.0  0.7  1.0
  Zn  Zn3  1  0.54  0.73  0.0  1.0

data_CaMgZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.07
_cell_length_c   5.87
_cell_angle_alpha   112.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgZn2
_chemical_formula_sum   'Ca1 Mg1 Zn2'
_cell_volume   94.83
_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
  Ca  Ca0  1  0.27  0.14  0.3  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.61  0.3  1.0
  Zn  Zn3  1  0.27  0.46  0.0  1.0

Ca Mg Zn Zn