data_[Sr2Mg1Cd6In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8974]
_cell_length_b [7.4771]
_cell_length_c [7.5567]
_cell_angle_alpha [93.6680]
_cell_angle_beta [112.7389]
_cell_angle_gamma [112.1639]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2MgCd6In]
_chemical_formula_sum '[Sr2 Mg1 Cd6 In1]'
_cell_volume [275.8897]
_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  Sr0  2  0.2565  0.7491  0.7645  1
  Mg  Mg1  1  0.5000  0.5000  0.5000  1
  Cd  Cd2  2  0.1901  0.1953  0.6802  1
  Cd  Cd3  2  0.2514  0.4364  0.0672  1
  Cd  Cd4  2  0.3104  0.8103  0.3199  1
  In  In5  1  0.0000  0.0000  0.0000  1
]