data_[Sr2Ca2Si2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5203]
_cell_length_b [5.7114]
_cell_length_c [6.7667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrCaSiO4]
_chemical_formula_sum '[Sr2 Ca2 Si2 O8]'
_cell_volume [202.4343]
_cell_formula_units_Z [2]
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  2  0.2916  0.2500  0.0715  1.0
  Ca  Ca1  2  0.1927  0.2500  0.5325  1.0
  Si  Si2  2  0.2504  0.7500  0.3125  1.0
  O  O3  4  0.0518  0.5237  0.2618  1.0
  O  O4  2  0.4225  0.7500  0.5592  1.0
  O  O5  2  0.4394  0.7500  0.1656  1.0
]