data_[Sr6Ca4]
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 [P2_1/m]
_cell_length_a [10.4227]
_cell_length_b [3.9985]
_cell_length_c [12.9777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr3Ca2]
_chemical_formula_sum '[Sr6 Ca4]'
_cell_volume [501.0107]
_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  0.0729  0.7500  0.1589  1.0
  Sr  Sr1  2  0.3022  0.2500  0.4676  1.0
  Sr  Sr2  2  0.4728  0.2500  0.2361  1.0
  Ca  Ca3  2  0.1043  0.7500  0.6391  1.0
  Ca  Ca4  2  0.3121  0.7500  0.9523  1.0
]