data_Sr2MgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   144.7
_cell_angle_beta   129.24
_cell_angle_gamma   63.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCr
_chemical_formula_sum   'Sr2 Mg1 Cr1'
_cell_volume   137.55
_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  0.9  0.6  1.0
  Sr  Sr3  1  0.0  0.0  0.16  1.0
  Mg  Mg1  1  0.0  0.0  0.17  1.0
  Cr  Cr0  1  0.0  0.9  0.36  1.0

data_Sr2MgCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.81
_cell_length_c   6.77
_cell_angle_alpha   115.38
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgCr
_chemical_formula_sum   'Sr2 Mg1 Cr1'
_cell_volume   137.55
_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  Sr0  1  0.0  0.16  0.16  1.0
  Sr  Sr1  1  0.1  0.7  0.7  1.0
  Mg  Mg2  1  0.0  0.17  0.17  1.0
  Cr  Cr3  1  0.1  0.46  0.46  1.0

Sr Sr Mg Cr
Sr Sr Mg Cr 0 3 o o o 1 2 o o o 1 3 o - o 2 3 o - o 