data_[Sr2Ca2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4436]
_cell_length_b [3.7490]
_cell_length_c [5.8012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrCaIn2]
_chemical_formula_sum '[Sr2 Ca2 In4]'
_cell_volume [255.9903]
_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  0.4776  0.0000  0.4525  1
  Ca  Ca1  2  0.2724  0.0000  0.8026  1
  In  In2  2  0.0274  0.0000  0.9762  1
  In  In3  2  0.2225  0.5000  0.2687  1
]