data_Sr2CaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   8.92
_cell_angle_alpha   155.9
_cell_angle_beta   147.69
_cell_angle_gamma   40.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaSi
_chemical_formula_sum   'Sr2 Ca1 Si1'
_cell_volume   154.72
_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  0.48  0.7  1.0
  Sr  Sr3  1  0.86  0.0  0.67  1.0
  Ca  Ca0  1  0.0  0.0  0.36  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Sr2CaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.97
_cell_length_c   8.92
_cell_angle_alpha   106.16
_cell_angle_beta   102.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaSi
_chemical_formula_sum   'Sr2 Ca1 Si1'
_cell_volume   154.72
_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  0.2  0.33  0.2  1.0
  Sr  Sr1  1  0.3  0.79  0.79  1.0
  Ca  Ca2  1  0.64  0.64  0.64  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Sr Sr Ca Si