[CIF]
data_Sr2CaZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11103246
_cell_length_b   7.11103246
_cell_length_c   3.61125422
_cell_angle_alpha   99.32217592
_cell_angle_beta   99.32217592
_cell_angle_gamma   117.15778390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaZr
_chemical_formula_sum   'Sr2 Ca1 Zr1'
_cell_volume   154.43496139
_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
  Ca  Ca0  1  -0.00000000  -0.00000000  0.00000000  1
  Sr  Sr1  1  1.29253181  3.03413105  1.71625131  1
  Sr  Sr2  1  1.29253181  -3.03413105  1.71625131  1
  Zr  Zr3  1  3.70715223  -0.00000000  0.00000000  1
[/CIF]
