data_[Rb4Ga4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3476]
_cell_length_b [5.7690]
_cell_length_c [7.7062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbGaAs]
_chemical_formula_sum '[Rb4 Ga4 As4]'
_cell_volume [370.1030]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.3453  0.5337  0.2688  1.0
  Ga  Ga1  4  0.0341  0.1971  0.4313  1.0
  As  As2  4  0.1736  0.0346  0.1628  1.0
]