data_Sr3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   116.96
_cell_angle_beta   116.96
_cell_angle_gamma   116.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Cr
_chemical_formula_sum   'Sr3 Cr1'
_cell_volume   177.36
_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  Sr1  1  0.86  0.19  0.3  1.0
  Sr  Sr2  1  0.14  0.19  0.3  1.0
  Sr  Sr3  1  0.0  0.62  0.3  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Sr3Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   116.96
_cell_angle_beta   100.16
_cell_angle_gamma   100.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Cr
_chemical_formula_sum   'Sr3 Cr1'
_cell_volume   177.36
_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  0.3  0.3  0.67  1.0
  Sr  Sr1  1  0.3  0.16  0.11  1.0
  Sr  Sr2  1  0.3  0.44  0.11  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Sr Sr Sr Cr