data_[Sr2Ca10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.6892]
_cell_length_b [3.9501]
_cell_length_c [9.4818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrCa5]
_chemical_formula_sum '[Sr2 Ca10]'
_cell_volume [529.0010]
_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  0.2782  0.0000  0.0558  1.0
  Ca  Ca1  2  0.0030  0.0000  0.9982  1.0
  Ca  Ca2  2  0.1088  0.5000  0.7163  1.0
  Ca  Ca3  2  0.1640  0.5000  0.3383  1.0
  Ca  Ca4  2  0.3332  0.0000  0.6642  1.0
  Ca  Ca5  2  0.4462  0.5000  0.3939  1.0
]