data_SrIn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   145.38
_cell_angle_beta   133.49
_cell_angle_gamma   59.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2As
_chemical_formula_sum   'Sr1 In2 As1'
_cell_volume   111.36
_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
  Sr  Sr3  1  0.0  0.0  0.64  1.0
  In  In1  1  0.93  0.0  0.37  1.0
  In  In2  1  0.0  0.56  0.26  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_SrIn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   5.12
_cell_length_c   6.48
_cell_angle_alpha   113.26
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2As
_chemical_formula_sum   'Sr1 In2 As1'
_cell_volume   111.36
_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
  Sr  Sr0  1  0.0  0.64  0.64  1.0
  In  In1  1  0.0  0.37  0.45  1.0
  In  In2  1  0.44  0.7  0.7  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Sr In In As
Sr In In As 0 1 - o o 0 2 o - o 0 3 o o + 1 3 + o o 2 3 o o o 