data_CaMg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   122.34
_cell_angle_beta   120.78
_cell_angle_gamma   87.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Pt
_chemical_formula_sum   'Ca1 Mg2 Pt1'
_cell_volume   84.26
_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  0.37  1.0
  Mg  Mg1  1  0.39  0.0  0.05  1.0
  Mg  Mg2  1  0.0  0.0  0.84  1.0
  Pt  Pt3  1  0.39  0.0  0.51  1.0

data_CaMg2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.9
_cell_length_c   4.96
_cell_angle_alpha   119.61
_cell_angle_beta   118.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Pt
_chemical_formula_sum   'Ca1 Mg2 Pt1'
_cell_volume   84.26
_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  0.37  0.37  1.0
  Mg  Mg1  1  0.0  0.05  0.65  1.0
  Mg  Mg2  1  0.0  0.84  0.84  1.0
  Pt  Pt3  1  0.0  0.51  0.12  1.0

Ca Mg Mg Pt