[CIF]
data_Ca4LaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87814326
_cell_length_b   6.87814326
_cell_length_c   6.87814326
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4LaSe
_chemical_formula_sum   'Ca4 La1 Se1'
_cell_volume   230.09048178
_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
  Ca  Ca0  1  6.07066154  6.07066154  3.65650194  1
  Ca  Ca1  1  6.07066154  3.65650194  6.07066154  1
  Ca  Ca2  1  3.65650194  6.07066154  6.07066154  1
  Ca  Ca3  1  3.65650194  3.65650194  3.65650194  1
  La  La4  1  7.29537261  7.29537261  7.29537261  1
  Se  Se5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
