data_CaMg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   143.23
_cell_angle_beta   129.49
_cell_angle_gamma   64.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Os
_chemical_formula_sum   'Ca1 Mg2 Os1'
_cell_volume   82.76
_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  0.99  1.0
  Mg  Mg1  1  0.79  0.0  0.07  1.0
  Mg  Mg2  1  0.0  0.0  0.69  1.0
  Os  Os3  1  0.79  0.0  0.65  1.0

data_CaMg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.83
_cell_length_c   5.66
_cell_angle_alpha   115.25
_cell_angle_beta   108.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Os
_chemical_formula_sum   'Ca1 Mg2 Os1'
_cell_volume   82.76
_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  0.99  0.99  1.0
  Mg  Mg1  1  0.0  0.07  0.28  1.0
  Mg  Mg2  1  0.0  0.69  0.69  1.0
  Os  Os3  1  0.0  0.65  0.87  1.0

Ca Mg Mg Os