data_[Sr2Ca4In4]
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 [P2_1/m]
_cell_length_a [7.6081]
_cell_length_b [5.3947]
_cell_length_c [8.5786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(CaIn)2]
_chemical_formula_sum '[Sr2 Ca4 In4]'
_cell_volume [336.8146]
_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  0.1818  0.7500  0.2186  1.0
  Ca  Ca1  2  0.1938  0.2500  0.5441  1.0
  Ca  Ca2  2  0.3518  0.2500  0.9801  1.0
  In  In3  2  0.1640  0.7500  0.7878  1.0
  In  In4  2  0.4896  0.7500  0.6299  1.0
]