data_[Ca10Mg4Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.0356]
_cell_length_b [13.5459]
_cell_length_c [5.3847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ca5Mg2Ga]
_chemical_formula_sum '[Ca10 Mg4 Ga2]'
_cell_volume [513.1884]
_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
[
  Ca  Ca0  4  0.1106  0.2782  0.0000  1
  Ca  Ca1  4  0.1644  0.5988  0.5000  1
  Ca  Ca2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  4  0.1444  0.8608  0.5000  1
  Ga  Ga4  2  0.0000  0.5000  0.0000  1
]