data_SrMgCo
_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   149.25
_cell_angle_beta   149.25
_cell_angle_gamma   44.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgCo
_chemical_formula_sum   'Sr1 Mg1 Co1'
_cell_volume   70.19
_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  Sr2  1  0.0  0.0  0.7  1.0
  Mg  Mg1  1  0.0  0.0  0.55  1.0
  Co  Co0  1  0.0  0.0  0.69  1.0

data_SrMgCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   112.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMgCo
_chemical_formula_sum   'Sr2 Mg2 Co2'
_cell_volume   140.38
_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  0.3  1.0
  Mg  Mg1  2  0.0  0.0  0.45  1.0
  Co  Co2  2  0.0  0.0  0.31  1.0

Sr Mg Co
Sr Mg Co 0 2 o o o 0 1 o o o 1 2 o o o 