data_MgCo2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   2.67
_cell_angle_alpha   99.66
_cell_angle_beta   99.66
_cell_angle_gamma   119.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2Ag
_chemical_formula_sum   'Mg1 Co2 Ag1'
_cell_volume   57.3
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.85  0.8  0.26  1.0
  Co  Co2  1  0.85  0.2  0.26  1.0
  Ag  Ag0  1  0.58  0.0  0.0  1.0

data_MgCo2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.96
_cell_length_c   5.1
_cell_angle_alpha   115.83
_cell_angle_beta   99.66
_cell_angle_gamma   101.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2Ag
_chemical_formula_sum   'Mg1 Co2 Ag1'
_cell_volume   57.3
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.06  0.8  0.65  1.0
  Co  Co2  1  0.46  0.2  0.05  1.0
  Ag  Ag3  1  -0.0  0.0  0.58  1.0

Mg Co Co Ag