data_Sr2CaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   150.0
_cell_angle_beta   131.48
_cell_angle_gamma   58.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaCo
_chemical_formula_sum   'Sr2 Ca1 Co1'
_cell_volume   138.89
_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  0.86  0.0  0.1  1.0
  Sr  Sr3  1  0.0  0.96  0.2  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.3  1.0

data_Sr2CaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.92
_cell_length_c   7.2
_cell_angle_alpha   114.26
_cell_angle_beta   105.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaCo
_chemical_formula_sum   'Sr2 Ca1 Co1'
_cell_volume   138.89
_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  0.77  0.9  0.77  1.0
  Sr  Sr1  1  0.8  0.76  0.76  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.7  0.7  0.7  1.0

Sr Sr Ca Co