data_CaMg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   147.15
_cell_angle_beta   129.48
_cell_angle_gamma   61.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ag
_chemical_formula_sum   'Ca1 Mg2 Ag1'
_cell_volume   98.48
_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  Ca1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.0  0.64  0.28  1.0
  Mg  Mg3  1  0.75  0.0  0.04  1.0
  Ag  Ag0  1  0.0  0.0  0.32  1.0

data_CaMg2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.29
_cell_length_c   6.19
_cell_angle_alpha   115.26
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ag
_chemical_formula_sum   'Ca1 Mg2 Ag1'
_cell_volume   98.48
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.04  0.29  1.0
  Mg  Mg2  1  0.36  0.63  0.63  1.0
  Ag  Ag3  1  0.0  0.32  0.32  1.0

Ca Mg Mg Ag