data_SrLiCa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiCa2
_chemical_formula_sum   'Sr1 Li1 Ca2'
_cell_volume   158.26
_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  Sr3  1  0.8  0.0  0.8  1.0
  Li  Li2  1  0.0  0.0  0.03  1.0
  Ca  Ca0  1  0.0  0.0  0.58  1.0
  Ca  Ca1  1  0.8  0.0  0.92  1.0

data_SrLiCa2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrLiCa2
_chemical_formula_sum   'Sr1 Li1 Ca2'
_cell_volume   158.36
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.8  0.0  0.8  1.0
  Li  Li1  1  0.0  0.0  0.03  1.0
  Ca  Ca2  1  0.0  0.0  0.58  1.0
  Ca  Ca3  1  0.8  0.0  0.92  1.0

Sr Li Ca Ca