data_SrMgCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   36.71
_cell_angle_beta   36.71
_cell_angle_gamma   36.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgCo2
_chemical_formula_sum   'Sr1 Mg1 Co2'
_cell_volume   86.23
_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
  Sr  Sr3  1  0.0  0.0  0.84  1.0
  Mg  Mg2  1  0.0  0.0  0.22  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.04  1.0

data_SrMgCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.05
_cell_length_b   4.07
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   111.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMgCo2
_chemical_formula_sum   'Sr2 Mg2 Co4'
_cell_volume   172.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.16  1.0
  Mg  Mg1  2  -0.0  0.0  0.78  1.0
  Co  Co2  2  -0.0  0.0  0.96  1.0
  Co  Co3  2  -0.0  0.0  1.0  1.0

Sr Mg Co Co
Sr Mg Co Co 0 2 o o + 1 3 o o o 1 2 o o o 2 3 o o o 